data_2ec1_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 2ec1 _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 ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 21.2 p90 -78.62 -42.22 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -110.08 106.81 16.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -129.51 117.82 21.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -150.78 145.19 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -74.84 141.64 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 p -164.23 171.52 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 27.1 mttp -117.91 134.93 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.32 147.67 22.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 67.2 m-85 -153.12 123.27 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 8.2 p90 -104.14 154.47 19.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -92.56 118.2 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -140.55 115.83 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.2 t70 66.59 43.95 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 58.55 41.19 22.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.34 160.78 41.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.26 127.0 54.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mmtt -118.36 131.68 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 14.6 tt0 -65.19 110.95 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -67.94 -43.92 77.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.87 127.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 mt -64.5 132.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . -170.76 -171.12 35.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 m -121.45 135.89 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.2 tt -82.67 138.71 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -130.47 107.73 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mt -96.51 119.13 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.99 150.86 50.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 147.82 64.18 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.7 t -112.58 171.33 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.82 -44.34 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -81.73 178.04 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.57 7.22 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -94.81 168.45 10.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.9 m -104.18 133.67 48.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -95.64 129.49 42.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 51' ' ' LEU . 1.5 tm? -99.37 124.69 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.3 tp -136.32 146.95 47.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.8 t -137.43 116.89 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -92.67 142.39 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.98 134.07 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 13.3 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -71.29 120.05 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.33 -50.15 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.75 118.37 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -127.64 103.77 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.55 175.35 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.5 mt -113.73 122.24 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -54.08 108.72 1.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 168.49 21.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.31 11.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -113.8 106.96 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -144.44 118.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.51 0.671 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.14 67.97 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 28.0 p -120.33 140.64 50.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -142.59 106.02 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 2.2 mmm180 -93.51 112.69 24.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -108.13 157.15 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.04 -145.71 20.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -115.85 -35.43 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 17.5 p-10 -117.96 16.53 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -110.2 151.21 27.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.6 t -145.55 135.49 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.51 146.3 47.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 pt -153.18 145.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.72 117.19 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.4 p -154.73 160.99 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.4 t -80.22 116.28 60.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.68 117.2 21.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 155.62 93.16 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.87 31.62 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.7 mt -76.08 -43.59 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -94.51 146.0 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -88.63 -37.01 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -79.46 -44.75 20.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.15 7.8 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.7 -64.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.5 p -50.41 -47.17 56.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 136.36 83.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.77 26.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.57 157.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -73.31 127.15 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mmt -125.17 138.0 54.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 tt -121.35 135.74 55.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.26 116.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -101.28 113.42 26.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.22 177.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -83.37 -47.09 11.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.0 124.33 51.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.429 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -45.88 -21.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.72 -44.44 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -59.05 -40.04 83.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.82 -62.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -45.89 -55.84 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.433 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.5 tp10 -52.82 -48.58 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.24 -45.48 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 120' ' ' LEU . 31.3 t-80 -66.77 -46.0 76.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -56.43 -58.51 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 31.8 mt -45.19 -55.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.9 mt -43.93 -55.82 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 116' ' ' HIS . 19.3 mt -47.28 -46.14 24.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.86 -44.51 80.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -57.22 -46.12 83.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -71.51 -23.82 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.06 -52.51 65.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 40.4 p90 -58.4 -46.65 86.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -102.11 126.13 48.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -140.72 110.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -142.59 128.21 19.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 140.56 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -165.89 172.7 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -105.9 157.94 17.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -120.86 137.24 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 70.8 m-85 -140.99 150.33 42.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 4.9 p90 -135.0 158.71 43.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -88.27 111.54 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -141.47 123.07 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 60.86 39.0 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 58.51 45.47 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -159.14 153.89 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -98.65 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 28.7 mmtp -101.0 142.33 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 12.7 tt0 -78.38 114.99 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.57 -42.94 86.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.37 125.86 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.6 mt -65.3 153.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . 173.3 -157.27 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.8 m -126.05 134.94 51.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 2.0 tm? -87.83 137.99 31.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.469 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.4 m-70 -137.12 113.05 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 10.8 mt -92.41 120.01 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -128.62 137.96 32.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.97 62.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.407 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.7 t -110.5 162.31 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.09 -46.32 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -74.67 177.65 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -79.53 9.82 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -95.87 172.96 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' HD23 ' A' ' 40' ' ' LEU . 92.9 m -112.85 140.27 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.59 113.59 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.73 136.9 33.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.65 128.95 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -119.73 111.92 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HD3' ' NE2' ' A' ' 39' ' ' HIS . 8.5 ptm180 -93.05 142.2 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.19 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 5.8 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 12.2 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -92.68 112.94 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.46 -44.54 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 tp -157.75 119.08 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -125.42 120.88 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -152.75 163.72 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.7 mt -109.26 122.49 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.59 112.97 5.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.94 17.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -27.25 26.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.14 106.87 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttp -137.45 131.25 17.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.6 p -128.33 129.55 46.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.13 119.37 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 1.9 mmm180 -96.8 110.94 23.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.45 HG21 ' CB ' ' A' ' 80' ' ' ASN . 10.7 t -108.53 166.58 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.25 -153.8 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -97.25 -50.14 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' CB ' HG21 ' A' ' 76' ' ' THR . 23.2 m120 -95.33 143.48 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -134.99 122.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tp -103.34 136.96 42.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.0 pt -146.11 146.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 t -110.88 116.7 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.5 m -153.05 154.22 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.6 111.57 20.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.9 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.45 114.75 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 170.0 60.3 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.335 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.23 -37.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -134.52 145.36 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -84.49 -23.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -47.8 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.25 17.55 23.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -48.38 -67.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 96' ' ' ALA . 38.6 p -36.92 -48.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.7 160.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 164.83 33.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.1 p -110.59 151.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -89.67 110.33 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.3 mtp -116.22 150.88 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 tt -128.05 132.57 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.3 mt -101.09 143.74 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -132.08 117.13 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.86 177.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -71.15 -65.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 3.2 t -113.86 144.48 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 112' ' ' ALA . 9.4 t -45.1 -51.91 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 4.8 pt-20 -41.18 -32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 79.7 m-20 -71.22 -44.43 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -57.26 -51.52 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -46.92 -60.54 2.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.3 -43.48 61.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' HIS . 29.3 tp -58.92 -67.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.419 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 8.1 t-80 -36.5 -58.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 120' ' ' LEU . 28.9 tttp -37.02 -66.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.4 mt -37.09 -59.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.423 ' CD1' ' H ' ' A' ' 119' ' ' LEU . 6.8 mp -43.93 -38.62 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HA ' ' CG ' ' A' ' 123' ' ' LYS . 4.0 mm? -76.38 -40.96 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.29 -23.92 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -93.6 -46.22 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -59.44 -28.58 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.59 -49.47 68.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 17.0 p90 -56.21 -49.25 74.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -98.7 118.7 36.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -133.49 109.19 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.34 136.8 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.73 139.1 43.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -163.64 166.22 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 11.6 mtmm -113.65 136.55 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.85 146.54 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 83.9 m-85 -152.28 126.88 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 28.9 p90 -107.0 160.09 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -92.58 115.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -135.93 121.67 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.36 40.55 24.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.42 41.35 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -152.8 161.64 42.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -101.4 112.12 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 4.2 mmpt? -105.01 134.48 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 6.3 tt0 -62.83 130.4 44.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -94.6 -43.45 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.62 121.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.77 133.9 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.4 -152.12 8.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -131.15 149.38 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -96.44 142.79 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 59.2 m-70 -142.95 126.63 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.1 mt -103.48 128.43 50.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -121.26 135.75 25.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.96 18.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.419 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 24.6 p -92.22 153.0 19.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -32.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' THR . 7.8 m-20 -94.46 -179.32 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -73.15 6.07 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -83.01 173.25 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.1 m -131.36 121.8 25.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 46.3 tt0 -91.11 153.46 20.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -121.48 141.69 50.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 tp -143.27 143.52 31.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.67 123.2 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -97.6 127.47 43.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 177.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.17 121.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.3 mt -93.0 -50.56 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -146.62 125.27 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -133.68 102.29 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.15 150.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.48 133.94 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.82 110.94 3.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 170.08 17.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.87 31.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -146.5 123.02 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 ttp -152.23 119.58 3.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 133.16 24.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.55 134.5 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -140.38 122.89 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -91.82 131.25 37.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.1 t -140.62 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.86 -165.91 6.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -83.69 -55.81 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 26.6 p30 -117.86 17.92 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -93.19 153.73 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.2 t -141.93 124.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD21 ' CG2' ' A' ' 101' ' ' THR . 9.2 mt -100.39 124.77 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 pt -138.1 140.21 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.5 116.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.44 158.2 38.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.17 121.3 84.39 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.81 41.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -144.2 113.37 5.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 170.09 60.24 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.321 -0.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.91 55.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.437 HD11 ' CB ' ' A' ' 24' ' ' TYR . 21.4 mt -87.88 -43.38 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.95 161.23 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -102.99 -37.44 7.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -37.78 -43.76 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -154.91 102.65 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.04 -51.61 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -40.57 -40.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtp -80.09 140.34 53.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 172.36 12.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.12 156.24 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.435 ' CG2' HD21 ' A' ' 82' ' ' LEU . 69.3 m -69.52 135.64 50.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 mmt -127.99 149.48 50.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 103' ' ' LEU . 1.2 tm? -130.99 118.7 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -103.08 120.74 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 105' ' ' ARG . 4.6 tmt_? -110.04 107.89 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 34.9 m -89.46 172.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -70.08 -40.59 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.6 p -132.24 139.62 48.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 33.4 t -50.44 -50.81 51.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.6 pt-20 -43.16 -39.27 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 10.2 m-20 -65.52 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.33 93.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -49.27 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.52 -49.47 75.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.3 -43.42 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.492 ' CE1' HD22 ' A' ' 120' ' ' LEU . 26.6 t-80 -64.53 -43.94 92.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -59.58 -51.13 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.4 mt -53.62 -57.85 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.32 -38.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.492 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.4 mm? -74.64 -43.65 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.07 -48.56 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -78.15 9.77 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.468 ' CE ' HD13 ' A' ' 120' ' ' LEU . 11.2 ttpp -130.81 101.97 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t70 62.88 42.15 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.327 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.6 p90 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 17.2 t80 -86.81 121.39 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.1 p -141.79 115.91 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -152.88 129.37 10.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 142.66 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.63 177.54 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.2 mtmt -112.52 160.19 18.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -118.06 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 56.7 m-85 -149.44 145.8 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 2.8 p90 -129.34 153.07 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -84.91 107.16 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 50.4 mttp -142.03 137.69 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 55.27 36.32 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 56.93 35.1 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -154.26 142.93 20.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -83.66 112.14 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 31.3 mttp -105.17 164.9 11.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' CD ' HD12 ' A' ' 35' ' ' ILE . 22.0 tt0 -96.08 124.9 40.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -88.87 -44.6 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.63 137.64 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 36' ' ' GLY . 28.8 mm -80.68 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' HG21 ' A' ' 35' ' ' ILE . . . 171.9 -156.62 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -129.84 146.69 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.81 139.24 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -141.8 124.8 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -107.4 128.13 54.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -128.54 133.45 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.95 18.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 23.3 p -80.09 158.04 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.23 -27.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 3.1 m120 -102.52 -179.0 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.19 2.65 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -78.51 174.14 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.1 m -131.33 134.34 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 14.6 tt0 -114.74 143.26 45.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 51' ' ' LEU . 9.0 tt -103.13 145.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 40.9 tp -144.71 147.2 32.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.2 t -138.62 129.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -100.93 146.82 26.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.67 167.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB2' ' C ' ' A' ' 35' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.2 mt -98.74 117.68 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.01 -49.9 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 tp -150.45 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.424 ' C ' HG11 ' A' ' 65' ' ' VAL . 19.2 t-20 -137.43 104.39 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 HG11 ' C ' ' A' ' 64' ' ' ASN . 32.0 m -146.46 177.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mt -107.39 148.26 29.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.34 121.69 61.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.66 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 54.0 Cg_endo -69.81 108.14 2.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 2.6 m120 66.3 47.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.713 ' N ' ' HZ1' ' A' ' 123' ' ' LYS . 13.9 tmm? -53.34 122.83 32.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 127.29 14.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 32.1 p -109.81 133.23 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.42 107.04 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 tpt85 -84.12 116.33 22.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -123.43 163.14 21.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.95 12.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -97.98 -50.86 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 46.1 p30 -117.68 17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -93.22 138.81 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.21 104.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -87.87 144.49 26.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 pt -157.27 151.25 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.74 115.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 p -155.5 152.85 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -69.34 120.77 79.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.16 6.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.412 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 29.0 t30 -119.6 118.37 32.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.04 65.32 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.346 -0.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 104.11 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -49.26 -42.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.98 176.77 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.77 -35.3 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -60.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.09 17.76 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.97 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 p -41.28 -49.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.7 mtp -76.77 144.49 73.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.7 18.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.22 152.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.9 m -69.24 107.71 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.9 mtp -107.53 135.73 48.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 104' ' ' ILE . 1.9 tt -115.92 142.41 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.416 ' N ' HD22 ' A' ' 103' ' ' LEU . 18.9 mt -116.15 133.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -121.39 106.94 11.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' CG2' ' H ' ' A' ' 107' ' ' LYS . 10.3 p -86.63 168.04 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.404 ' H ' ' CG2' ' A' ' 106' ' ' VAL . 17.7 tptt -66.86 -53.28 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.8 p -120.12 127.33 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' ALA . 47.3 t -42.8 -50.99 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' SER . 6.8 pt-20 -35.91 -41.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.64 -47.43 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -51.95 -53.04 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.98 -54.39 42.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.53 -44.98 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.569 ' CE1' HD22 ' A' ' 120' ' ' LEU . 22.0 t-80 -68.06 -54.65 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -41.74 -66.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' GLU . 39.8 mt -39.75 -61.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -38.61 -55.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.2 mm? -54.66 -38.28 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' ILE . 60.3 mm-40 -69.41 -49.34 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -53.9 -48.7 69.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.713 ' HZ1' ' N ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -75.35 -41.16 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 5.0 m-20 -45.63 -54.92 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 122' ' ' LYS . 44.7 p90 -80.73 -47.65 13.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 79.3 t80 -98.33 112.11 24.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.6 p -132.91 116.48 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 137.72 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -71.67 145.2 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -167.51 163.73 14.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 23' ' ' PHE . 11.2 ttmt -95.02 159.22 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.7 mt -125.76 144.95 50.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 96.4 m-85 -148.96 154.92 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -136.97 141.51 42.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -86.03 103.61 14.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -129.51 122.08 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 63.45 42.11 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 58.21 46.1 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -156.8 154.13 29.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -104.88 107.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -114.9 122.81 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -60.08 144.2 50.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -96.12 -30.54 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.69 138.32 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 130.8 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 -153.15 7.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.3 m -132.59 142.35 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.6 tt -91.2 143.22 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -138.52 113.28 9.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.57 113.67 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.3 140.44 37.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.544 0.688 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.35 68.86 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.4 t -118.68 170.74 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.82 -33.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -93.54 163.33 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -62.81 -7.77 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -81.77 168.18 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 49' ' ' GLN . 87.2 m -106.86 152.51 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' HG22 ' A' ' 48' ' ' THR . 44.7 tt0 -111.54 121.65 45.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -84.18 117.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 50' ' ' LEU . 23.5 tp -130.82 125.45 33.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -115.19 113.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -92.61 117.23 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 161.89 12.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 37.9 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.55 127.02 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -97.37 -44.45 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 tp -155.3 117.63 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -129.56 107.49 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -147.41 171.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.5 tp -113.0 117.24 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.6 mt -52.74 109.96 1.71 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.89 17.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.95 22.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -139.74 106.17 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ttp -143.84 113.72 5.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.22 42.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.5 t -124.42 142.79 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.22 114.71 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -81.91 125.37 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 t -131.66 155.08 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.39 -158.07 23.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.63 -50.97 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -114.27 15.68 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -101.39 151.64 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -142.7 120.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.61 141.14 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.8 pt -157.54 142.55 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.9 t -101.0 118.02 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.7 p -155.25 152.1 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.0 111.69 9.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 4.1 m-20 -120.74 116.61 31.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.18 72.02 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.358 -0.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.36 60.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.67 -42.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 27.0 p-10 -140.5 176.94 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.98 -34.94 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.81 -62.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -88.99 15.53 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' ASP . . . -53.15 -56.54 15.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 t -57.58 -20.42 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 ttt -95.58 139.98 22.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 54.4 Cg_endo -69.73 161.81 44.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.11 156.16 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 138.59 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.87 138.1 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.71 119.38 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.95 113.14 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -110.03 129.78 55.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 108' ' ' THR . 6.2 p -98.43 168.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.16 -53.96 50.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 46.1 p -113.26 134.31 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.9 p -47.04 -52.02 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.14 -50.24 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -52.28 -45.29 65.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.41 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.09 -40.66 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.7 tp10 -68.64 -53.57 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -44.0 -48.25 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 120' ' ' LEU . 19.7 t-80 -54.25 -48.05 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' LEU . 2.8 mptm? -67.03 -58.8 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 73.2 mt -41.45 -45.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 116' ' ' HIS . 93.3 mt -79.38 -26.76 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -80.21 -31.16 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 33.4 mmtm -78.64 -44.19 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -56.47 -33.75 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 125' ' ' ALA . 0.4 OUTLIER -79.19 -45.66 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 15.3 p90 -88.9 -45.25 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 47.8 t80 -91.86 118.88 31.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -135.17 121.12 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 139.29 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -69.29 144.96 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -165.28 169.05 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 20.2 mttm -116.4 125.33 51.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.75 127.26 34.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 98.0 m-85 -126.82 125.61 41.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 27.7 p90 -107.8 150.6 26.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 38.9 tptt -97.8 117.64 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -141.05 142.65 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 52.54 33.51 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 65.46 39.68 5.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -100.31 116.95 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 20.2 mmmt -116.06 133.94 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -66.46 130.0 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 30.0 tptt -86.09 -41.98 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.94 134.37 1.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -71.48 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.56 -164.14 21.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -122.76 140.08 53.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 2.7 tm? -90.54 137.0 32.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 38' ' ' LEU . 96.4 m-70 -135.57 111.78 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.05 106.47 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 136.27 19.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.23 20.82 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 18.6 p -88.46 159.75 17.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.02 -32.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 2.5 t-20 -94.59 -178.85 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -75.54 10.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -85.67 178.72 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 10.0 tt0 -96.52 149.33 21.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.41 114.11 20.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -134.09 133.91 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.77 127.41 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.82 142.34 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.15 170.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.82 125.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.19 -46.55 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -155.18 115.17 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -125.19 102.39 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 m -140.06 147.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.77 131.36 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.97 112.01 6.56 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.89 17.88 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -5.5 16.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.84 117.7 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttt -147.14 119.56 4.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.56 19.56 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.0 m -112.28 146.19 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.81 117.71 9.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -85.58 127.62 34.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -140.82 139.65 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.33 -148.39 50.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -117.69 -37.99 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -117.91 17.94 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -115.54 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.69 109.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -86.82 124.4 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 82' ' ' LEU . 46.8 pt -152.1 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.72 126.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 p -155.35 147.72 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -73.85 119.67 77.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.45 10.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -127.19 115.57 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.21 91.22 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.373 -0.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 144.78 55.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.84 -41.51 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -131.91 120.44 22.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.73 -25.71 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -54.2 46.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.73 16.32 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.26 -50.6 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.7 m -65.76 -43.03 90.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.73 132.38 74.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.89 40.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.12 159.66 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 98.9 m -70.64 103.27 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.82 145.52 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.3 tt -136.1 146.52 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 104' ' ' ILE . 5.2 mp -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -101.81 120.06 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.0 166.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -60.95 -62.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 46.1 p -111.97 142.73 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -49.77 -41.06 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.8 pt-20 -51.89 -38.23 55.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 53.5 m-20 -64.36 -41.12 96.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.07 -59.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -44.13 -48.35 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -55.71 -62.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.67 -44.54 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -63.29 -46.37 87.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -56.89 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLU . 80.2 mt -47.39 -66.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.02 -49.54 3.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.55 -37.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.6 mm-40 -75.09 -41.14 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.43 -45.74 91.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 21.2 pttt -63.01 -37.28 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 5.5 t0 -48.62 -52.56 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 38.9 p90 -78.64 -48.27 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.0 120.04 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 p -139.01 111.84 7.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -146.89 128.48 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 139.66 56.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 p -161.12 162.5 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -93.76 173.27 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.6 mt -139.49 139.54 37.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 53.0 m-85 -151.08 138.47 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 21.6 p90 -118.58 150.7 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -88.58 116.9 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.24 127.69 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 55.96 39.18 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.9 t30 61.15 44.73 9.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -156.72 147.06 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.97 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 27.9 mmtt -94.43 158.66 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -92.36 121.07 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -40.47 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.33 2.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.0 mm -72.4 149.41 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 35' ' ' ILE . . . 175.93 -157.77 24.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -128.88 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -90.11 139.38 30.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -138.23 122.49 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 37.1 mt -103.67 115.53 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.42 144.71 46.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.6 30.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 t -100.27 172.23 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.45 -43.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -91.06 176.59 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.87 2.47 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -81.12 168.42 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.6 m -108.14 136.58 47.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.59 117.23 34.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 40' ' ' LEU . 1.1 tm? -81.8 118.3 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.7 141.6 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.22 113.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.06 135.25 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.91 174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.36 110.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.29 -53.64 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -150.43 120.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.4 105.93 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.57 159.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.0 mt -98.76 135.26 40.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -67.98 112.32 10.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 0.0 111.096 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.5 21.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.14 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.35 109.27 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.2 ttp -143.04 122.19 7.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.21 14.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.416 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 72.9 m -114.14 133.8 55.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -137.01 117.34 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -92.08 111.85 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.6 t -115.25 166.52 11.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.14 -153.13 35.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -97.1 -55.94 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 23.7 p-10 -117.07 17.14 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.01 151.11 21.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.15 105.5 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.59 139.5 30.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 pt -154.2 166.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.82 113.09 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.22 146.77 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.15 118.35 60.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.414 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 4.2 m120 -125.46 120.09 24.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.79 161.15 86.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.97 43.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -78.02 -42.41 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.28 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -114.86 -34.3 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -79.47 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -79.76 11.15 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.33 -65.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -43.2 -49.24 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.0 ttt -64.64 133.5 95.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 156.3 63.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.57 152.39 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.6 m -68.95 133.73 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.4 mtp -130.81 142.97 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.27 139.23 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.4 mt -127.36 127.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -103.47 115.85 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 112' ' ' ALA . 27.5 m -97.03 177.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -49.52 -61.64 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 p -145.69 168.55 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -47.68 -30.93 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 2.0 tp10 -65.58 -40.98 93.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.17 -36.85 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.468 ' N ' HG22 ' A' ' 106' ' ' VAL . . . -54.56 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -39.25 -61.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -44.47 -55.35 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.14 -59.11 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.571 ' CE1' HD23 ' A' ' 120' ' ' LEU . 53.7 t-80 -47.54 -64.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -38.3 -66.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.8 mt -37.13 -65.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -44.17 -44.68 7.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 116' ' ' HIS . 4.3 mm? -64.88 -58.92 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.53 -53.48 4.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -67.79 -42.6 81.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' ASP . 13.7 ttpp -44.27 -46.57 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' LYS . 20.2 t0 -37.91 -59.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 40' ' ' LEU . 43.0 p90 -93.95 -48.75 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 72.5 t80 -95.27 114.14 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -132.85 105.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -141.8 126.17 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 141.24 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -162.26 174.94 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -120.36 141.25 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.31 141.34 29.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -140.38 123.98 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -111.76 153.5 26.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -85.67 114.91 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -134.22 122.51 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.32 40.31 11.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.09 42.65 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -159.46 160.17 34.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -91.8 125.13 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -114.88 163.5 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -92.85 116.7 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -81.67 -43.14 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.31 141.38 3.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -85.76 120.89 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.94 -159.21 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.5 m -125.16 149.84 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.07 141.19 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -133.09 142.41 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.595 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 53.9 mt -131.85 117.51 18.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' NZ ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -136.32 149.16 66.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.49 45.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -98.36 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.16 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 17.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 58.93 38.36 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -119.52 177.76 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.2 m -115.94 108.26 16.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -93.46 138.17 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -97.44 130.36 44.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD21 ' NZ ' ' A' ' 41' ' ' LYS . 21.0 tp -140.27 142.17 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -129.21 127.13 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.8 132.3 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.3 171.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -81.85 117.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -85.75 -50.93 6.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -151.49 118.67 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -125.25 103.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.7 m -146.61 154.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 tp -95.61 144.73 25.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.94 111.88 9.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.749 . . . . 0.0 111.129 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.67 18.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.19 14.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -123.71 113.34 18.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 ttt -146.34 117.98 4.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.22 53.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 30.0 p -124.51 135.25 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 p -140.32 108.07 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' NH1' ' CB ' ' A' ' 112' ' ' ALA . 6.6 mmm180 -83.34 115.06 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -116.43 131.65 56.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.51 -150.03 41.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -118.02 -32.94 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' ND2' ' HE ' ' A' ' 105' ' ' ARG . 4.1 p-10 -117.99 18.0 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -127.43 147.47 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 ' CD ' ' A' ' 75' ' ' ARG . 47.4 t -141.39 118.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' A' ' 101' ' ' THR . 10.0 mt -91.03 128.55 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.9 pt -140.16 147.95 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.8 t -107.63 111.75 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 76.0 m -150.4 157.37 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.88 117.67 63.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.738 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 132.23 22.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 88' ' ' ASN . 2.3 t-20 -128.47 114.28 19.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.589 0.709 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.8 73.19 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.312 -0.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.34 53.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.1 mm -59.64 -44.21 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.75 165.51 27.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.28 -28.61 38.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -73.96 -48.0 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -100.66 17.4 21.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.07 89.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 84.8 m -63.97 -40.3 96.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.7 mtt -79.61 142.88 58.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 165.79 29.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.55 151.72 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.404 ' CG2' HD21 ' A' ' 82' ' ' LEU . 34.0 m -69.05 137.0 53.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.6 mtt -132.26 150.8 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 103' ' ' LEU . 1.9 tm? -131.85 118.1 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.6 mt -93.0 113.8 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HE ' ' ND2' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -100.59 112.23 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.94 164.22 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.98 -51.05 43.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.9 p -110.86 142.59 42.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.2 p -55.76 -46.7 77.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.75 -47.35 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.45 -48.5 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' CB ' ' NH1' ' A' ' 75' ' ' ARG . . . -52.56 -56.97 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -46.03 -47.76 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.64 -51.48 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -48.27 -50.05 31.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 36.5 t-80 -57.1 -55.23 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.8 -60.7 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.462 ' HA ' ' CD ' ' A' ' 121' ' ' GLU . 70.0 mt -48.86 -39.56 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.71 -33.99 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 120' ' ' LEU . 4.5 mm? -76.3 -47.68 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.462 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 9.8 pt-20 -64.24 -43.82 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -56.95 -45.24 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -71.69 -34.41 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.1 t70 -49.5 -50.43 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 50.1 p90 -68.72 -46.04 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CD2' HD13 ' A' ' 118' ' ' ILE . 47.8 t80 -98.58 119.02 36.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -132.08 106.22 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -137.42 135.82 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.72 139.86 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.2 p -164.91 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.9 168.57 9.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.65 133.93 44.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.97 151.69 48.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' CD2' HD11 ' A' ' 91' ' ' ILE . 4.6 p90 -134.19 151.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -87.69 111.82 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -132.2 125.54 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.67 43.69 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 59.29 39.16 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.74 167.39 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.89 123.53 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -118.42 153.16 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -91.37 -41.8 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.42 127.9 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.7 mt -74.8 140.38 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.56 -157.69 13.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.4 m -125.16 134.71 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 50' ' ' LEU . 3.4 tm? -86.1 136.92 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 88.7 m-70 -133.17 120.45 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.3 mt -104.03 134.57 47.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -147.05 134.51 10.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.678 . . . . 0.0 110.907 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.29 53.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.4 p -100.81 166.45 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.13 64.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -83.99 13.42 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.81 36.84 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -107.57 178.4 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 m -121.24 105.17 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -97.59 147.25 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 38' ' ' LEU . 6.5 tp -104.81 134.79 47.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -143.73 122.05 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' CG2' HD23 ' A' ' 38' ' ' LEU . 81.5 t -119.51 115.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -88.19 137.69 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.06 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.18 121.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.98 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.66 117.83 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 64' ' ' ASN . 20.2 t-20 -125.39 107.49 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 m -143.92 152.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.5 tp -91.63 119.26 31.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.44 108.83 1.34 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.104 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 71' ' ' MET . 53.8 Cg_endo -69.79 164.68 33.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.6 18.09 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.439 ' O ' ' NZ ' ' A' ' 123' ' ' LYS . 10.7 ttp -52.09 107.13 0.76 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.588 0.709 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.12 12.93 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' ' NE2' ' A' ' 116' ' ' HIS . 6.4 t -115.8 136.99 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -134.62 107.46 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -74.93 115.39 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.5 t -114.63 151.71 33.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.3 -144.42 6.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -117.67 -32.57 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.523 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -118.0 5.58 12.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -103.9 152.12 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.7 t -141.92 114.56 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -97.92 142.22 29.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 pt -157.4 166.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -119.1 119.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.83 144.99 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.9 t -69.13 117.52 52.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.2 7.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -126.13 116.5 23.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.08 84.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.344 -0.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.52 42.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.45 HD11 ' CD2' ' A' ' 24' ' ' TYR . 35.3 mt -77.35 -41.27 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.26 153.29 24.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -100.05 -32.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 1.6 mmpt? -45.84 -38.24 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -157.53 103.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.67 -44.2 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -47.6 -27.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.5 ttt -89.26 129.8 46.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.81 20.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 m -130.94 155.8 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.3 m -70.6 138.58 50.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.6 mtp -128.6 149.21 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -127.16 121.56 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 57.5 mt -106.2 114.34 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -108.72 109.92 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 107' ' ' LYS . 14.1 p -92.73 161.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.9 tppt? -47.1 -65.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.5 p -111.57 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.7 p -56.13 -50.94 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.35 -40.17 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.64 -47.82 84.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.46 56.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -38.33 -57.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.8 -54.62 44.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.405 ' NE2' ' SG ' ' A' ' 73' ' ' CYS . 51.7 t-80 -52.61 -38.84 60.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -66.84 -57.53 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' A' ' 16' ' ' TYR . 55.1 mt -42.63 -45.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.47 -47.64 78.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.29 -65.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.456 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 13.0 pt-20 -41.73 -45.42 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -74.13 -42.78 59.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 71' ' ' MET . 19.4 ttmt -42.32 -58.48 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -52.46 -52.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.7 p90 -56.97 -41.94 79.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.527 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 39.3 t80 -111.18 111.33 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -132.13 118.99 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -154.38 129.37 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -61.48 138.46 58.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 19.7 p -160.06 163.0 34.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -93.45 175.06 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.17 126.37 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 40.4 m-85 -134.45 140.81 46.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 52.3 p90 -123.86 144.74 49.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -87.22 109.39 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -134.25 123.25 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 61.78 41.0 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m120 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -157.07 145.25 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -93.69 119.55 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 mmpt? -112.92 132.86 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -66.26 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -70.2 -42.67 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.51 124.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -62.95 133.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.96 179.66 38.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.438 HG21 ' CD2' ' A' ' 39' ' ' HIS . 24.1 m -103.21 128.84 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.3 tm? -85.33 139.48 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' CD2' HG21 ' A' ' 37' ' ' THR . 20.1 m-70 -139.25 130.03 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -106.3 121.07 43.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -119.47 128.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.03 55.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 p -109.24 162.7 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.51 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -88.01 12.64 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 62.28 32.76 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -108.21 176.05 5.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.9 m -118.54 111.12 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -97.4 121.01 38.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.92 133.49 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.76 112.92 6.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.58 131.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -101.33 138.25 38.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 139.17 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.2 119.09 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.74 -48.21 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.8 tp -151.02 113.65 4.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.56 106.39 10.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 m -148.9 157.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 tp -98.47 136.63 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.449 ' CD1' HD23 ' A' ' 119' ' ' LEU . 85.7 mt -64.48 111.93 6.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.09 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.31 3.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -113.23 114.49 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -153.61 123.95 3.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.52 136.12 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.6 p -142.54 111.18 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.9 mmm180 -96.24 120.29 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 t -117.37 166.72 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 43.96 -155.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -97.8 -41.04 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -117.47 17.03 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -100.62 131.39 46.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.99 110.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.68 132.04 41.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.2 pt -146.41 137.93 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.02 114.82 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -153.65 162.51 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 81.1 t -77.28 119.62 78.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.47 17.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -124.66 118.07 26.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.62 76.29 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.291 -0.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.82 13.79 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.63 -45.78 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -105.99 149.76 26.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.49 -44.61 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.07 -52.65 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.8 m120 -75.56 -3.19 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . -36.47 -65.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.9 p -50.1 -47.72 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.11 136.4 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.5 m -140.18 158.84 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.2 m -69.06 135.51 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.0 mtp -139.09 126.05 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 104' ' ' ILE . 10.3 tt -113.17 143.95 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.415 ' N ' HD22 ' A' ' 103' ' ' LEU . 83.8 mt -123.0 133.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -119.09 102.45 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.63 157.67 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -58.31 6.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 t -112.25 149.83 31.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.6 p -58.51 -50.05 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -43.78 -46.17 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -52.35 -44.2 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -44.88 -36.56 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' LEU . 8.6 mm-40 -76.76 -66.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 19.7 tp -35.01 -47.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.519 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.3 t-80 -65.37 -58.54 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -50.72 -63.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.8 mt -44.42 -43.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 67' ' ' ILE . 22.0 mt -61.52 -32.18 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.63 -35.07 30.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.69 -44.59 63.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -57.85 -47.42 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -34.54 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -57.42 -52.64 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.774 0.321 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 16.3 p90 -64.29 -39.6 94.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -106.51 120.43 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.551 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 3.6 t -141.92 116.94 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 139.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -70.23 152.93 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -167.98 174.94 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -110.39 126.06 53.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.44 134.56 33.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -139.65 135.73 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 10.2 p90 -123.7 141.78 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -86.32 105.13 16.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -127.33 121.01 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.39 38.67 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 t30 62.47 42.01 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -154.14 146.42 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.85 112.21 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 7.3 mmpt? -110.91 148.59 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.15 119.3 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.02 -38.68 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.73 130.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.72 152.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.01 -145.29 6.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -133.34 120.85 21.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -84.98 137.54 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 59.3 m-70 -131.45 142.07 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 12.5 mt -121.65 118.14 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 150.37 52.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 44' ' ' ALA . 14.2 t -121.94 177.32 5.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.96 -39.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.32 162.41 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -57.39 164.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -112.08 131.22 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.45 132.4 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.47 125.41 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' N ' HD21 ' A' ' 50' ' ' LEU . 19.7 tp -139.14 141.42 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 38' ' ' LEU . 92.7 t -129.32 121.71 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -85.73 155.62 20.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.6 147.42 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.03 -45.83 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -154.77 113.49 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -120.54 105.27 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 28.2 m -148.52 148.79 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.87 136.78 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.78 113.95 17.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.03 17.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.12 24.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.34 111.07 13.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttp -139.79 121.44 9.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.529 0.68 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 136.7 33.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.2 p -118.73 132.2 56.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 p -134.45 107.97 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 tpt85 -80.47 113.41 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -112.06 159.83 18.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.92 -156.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 23.0 pttp -95.08 -48.75 5.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 20.4 p-10 -109.52 15.94 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -103.33 137.28 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.8 t -133.44 116.14 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -96.86 133.15 41.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.78 140.57 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 t -100.87 111.96 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -152.31 150.45 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.73 117.09 50.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 126.66 13.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 2.5 m120 -123.02 121.14 27.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.74 165.67 75.99 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.35 -0.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.63 45.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.13 -43.81 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -113.55 152.2 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.29 -12.82 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.63 -37.01 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -101.26 0.79 38.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -37.34 -63.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.0 p -49.64 -47.97 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.2 ttt -70.18 135.63 86.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.539 0.685 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.2 35.43 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.99 155.77 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.6 m -71.03 136.7 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 mtp -130.77 142.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -124.02 122.9 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 mt -107.4 118.19 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -104.1 114.01 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.43 165.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -50.98 -58.77 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 110' ' ' GLU . 1.8 t -129.77 144.55 51.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 112' ' ' ALA . 91.7 p -45.2 -55.21 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 108' ' ' THR . 4.6 pt-20 -38.53 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' SER . 3.7 t70 -73.92 -46.96 41.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLU . . . -57.25 -43.16 82.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -40.22 -25.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 tp10 -92.85 -55.75 3.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.5 tp -39.45 -28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' GLU . 44.9 t-80 -80.83 -69.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.0 ptmt -44.71 -48.85 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.3 mt -50.47 -58.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.45 -44.7 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.25 -36.82 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -70.85 -40.48 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -42.39 81.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -80.15 -41.45 25.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.58 -54.4 47.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.831 0.348 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 33.8 p90 -97.49 -50.18 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -123.36 120.1 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -149.55 132.75 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -73.44 142.48 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 p -167.51 174.3 7.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -103.73 162.12 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -128.95 137.62 51.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -143.36 130.08 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 14.3 p90 -110.07 143.57 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -87.42 111.21 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -137.25 138.12 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.1 40.55 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 57.73 47.28 15.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -162.46 154.28 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -98.41 120.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 4.9 mmpt? -121.83 121.24 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.39 132.81 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -89.05 -41.79 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.18 122.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.72 135.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.01 -158.9 20.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.9 m -124.92 137.16 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 38' ' ' LEU . 2.3 tt -89.3 146.04 24.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 97.3 m-70 -135.89 114.13 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 11.6 mt -95.93 117.86 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -131.63 135.4 26.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' CB ' ' A' ' 47' ' ' LYS . 5.0 t -103.06 171.05 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.26 172.65 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 m120 61.19 31.97 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 51.21 45.18 28.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' CB ' ' CG2' ' A' ' 43' ' ' THR . 21.4 mmtt -121.46 172.21 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -126.2 125.19 42.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -95.6 125.91 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.56 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 1.2 tm? -95.34 116.4 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 50' ' ' LEU . 15.1 tp -123.61 145.44 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.39 122.62 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HG2' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -97.59 147.64 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 147.77 49.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.82 112.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.43 -45.02 18.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.9 tp -157.7 112.37 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' C ' HG12 ' A' ' 65' ' ' VAL . 5.6 t30 -119.8 102.15 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG12 ' C ' ' A' ' 64' ' ' ASN . 8.4 m -149.8 162.86 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.34 166.88 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -113.06 102.01 54.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.684 0.754 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.98 69.13 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.98 29.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -88.0 16.99 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -75.23 119.81 78.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.34 24.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 16.7 p -141.51 133.32 27.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -144.06 102.03 3.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' CD ' HG23 ' A' ' 81' ' ' VAL . 3.6 mmm180 -85.56 129.54 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 77' ' ' GLY . 5.9 t -125.52 146.92 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' ' HG1' ' A' ' 76' ' ' THR . . . 61.71 -142.72 48.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 78' ' ' LYS . 3.0 ttmp? -117.96 -36.57 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -115.76 13.56 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.462 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 10.9 m120 -115.3 149.25 38.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.494 ' CG1' ' HB ' ' A' ' 104' ' ' ILE . 11.9 p -152.63 122.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 101' ' ' THR . 16.3 mt -92.13 152.25 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 82' ' ' LEU . 2.4 pp -158.36 152.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.6 121.15 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.2 p -154.8 157.91 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.25 123.86 70.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.064 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.21 20.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -134.76 112.59 11.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.0 60.56 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.337 -0.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 55.2 mt -92.97 -40.92 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -114.08 117.52 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.0 tt0 -61.41 -45.08 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' GLU . 14.1 mmtp -34.29 -44.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -152.73 102.79 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -92.64 -60.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' ALA . 41.0 m -35.71 -42.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 ttt -65.2 131.63 95.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -136.46 153.93 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.461 ' CG2' HD23 ' A' ' 82' ' ' LEU . 95.3 m -71.47 132.72 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtt -132.79 126.87 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tt -106.63 138.67 42.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.494 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 45.5 mt -119.55 117.34 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.32 103.16 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.465 HG22 ' CA ' ' A' ' 112' ' ' ALA . 8.0 m -87.29 178.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.41 -67.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.413 ' HB ' ' CD ' ' A' ' 110' ' ' GLU . 81.8 p -82.98 151.84 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 p -66.16 -47.15 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 24.5 pm0 -54.65 -28.72 49.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 110' ' ' GLU . 6.5 m-20 -66.52 -54.83 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.465 ' CA ' HG22 ' A' ' 106' ' ' VAL . . . -48.9 -58.8 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.58 -42.35 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.96 -36.84 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 104' ' ' ILE . 31.6 tp -69.6 -57.86 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 73' ' ' CYS . 9.6 t-80 -51.0 -42.88 60.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -59.84 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.484 HG23 ' CD ' ' A' ' 122' ' ' LYS . 57.9 mt -38.79 -54.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.32 -53.65 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -47.82 -36.05 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.68 -57.26 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.484 ' CD ' HG23 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -50.65 -46.06 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 30.9 pttt -62.16 -43.3 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 28.2 m-20 -50.54 -48.99 57.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.849 0.357 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 37.3 p90 -75.36 -49.08 20.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 38.1 t80 -83.92 108.75 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -126.55 108.25 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -146.97 136.14 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 140.54 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 p -162.11 159.18 25.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -95.53 168.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.33 134.92 44.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 10.9 m-85 -140.88 153.89 45.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -134.19 153.17 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -89.44 114.03 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 126.26 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t0 59.59 38.82 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.55 41.81 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -156.13 161.14 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -107.78 116.46 31.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -106.82 153.85 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.37 116.41 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -75.38 -40.91 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.31 131.84 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.45 144.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.089 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.22 -154.72 11.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -126.41 143.82 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.2 tm? -101.2 139.86 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 20.0 m-70 -137.46 118.02 13.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.0 mt -93.03 106.61 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -107.22 121.79 43.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.42 24.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -128.15 170.13 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.93 62.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -86.37 18.01 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 62.87 35.41 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -121.07 176.68 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.409 ' OG1' ' CG ' ' A' ' 122' ' ' LYS . 90.9 m -130.28 132.1 45.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.06 128.1 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.97 125.53 32.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.2 tp -141.68 133.46 27.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.55 119.32 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -85.68 149.54 25.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.48 158.93 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.3 145.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.09 -47.06 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tp -153.18 112.66 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.409 ' CG ' HD11 ' A' ' 51' ' ' LEU . 44.5 t-20 -125.65 102.25 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.407 HG11 ' C ' ' A' ' 64' ' ' ASN . 32.9 m -143.47 150.09 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -91.86 128.23 37.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.48 113.61 6.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.129 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.11 37.28 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.43 104.94 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ttp -144.06 125.32 7.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 154.54 67.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 25.8 p -134.5 135.5 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.56 103.24 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -78.11 107.52 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.3 t -108.08 162.14 14.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.97 -159.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -96.45 -44.66 7.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.474 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 11.7 p-10 -118.0 16.39 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -100.56 135.19 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.77 106.33 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 tp -86.46 128.08 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.9 pt -143.91 144.84 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 t -105.0 120.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.5 162.7 41.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.0 t -80.03 122.56 83.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 118.6 5.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -122.63 115.23 29.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.37 74.35 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.313 -0.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.89 41.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.2 mt -77.55 -43.81 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.31 147.19 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.28 -40.58 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 95' ' ' ASN . 3.0 pttm -47.2 -30.53 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 25.7 m-80 -157.71 103.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.2 -58.72 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 m -43.08 -42.39 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpp -58.85 124.74 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 164.16 35.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.8 m -133.33 157.92 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.5 m -72.87 118.5 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 mmt -120.29 136.76 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 tt -117.84 138.93 51.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.22 131.23 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -117.59 145.87 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.3 m -122.49 162.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -61.18 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 t -101.83 159.63 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.5 t -66.92 -47.31 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.34 -30.2 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.02 -40.57 75.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.56 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.14 -44.86 88.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 35.2 tp10 -64.78 -63.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 7.0 tp -39.17 -41.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 5.6 t-160 -75.29 -39.09 60.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' GLU . 38.3 mtpt -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 4.7 mp -50.69 -63.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.597 ' CD1' ' C ' ' A' ' 119' ' ' LEU . 0.4 OUTLIER -55.82 -32.97 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.33 -27.22 64.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -86.84 -37.02 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.409 ' CG ' ' OG1' ' A' ' 48' ' ' THR . 28.8 mmtm -73.34 -44.08 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 14.2 pttp -50.11 -39.53 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 3.9 t70 -80.32 -45.36 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 6.3 p90 -98.02 -45.87 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -95.33 125.32 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.47 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 10.8 t -140.8 118.66 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -147.37 143.83 28.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.9 126.14 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.83 173.89 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -104.63 165.78 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.99 137.19 47.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -139.67 128.2 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -110.47 145.03 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 41.3 tttm -86.17 113.63 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -138.29 127.02 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.62 40.24 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 58.65 44.12 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -160.31 152.44 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -96.24 126.49 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 135.13 53.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.45 120.64 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -77.05 -40.61 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.93 135.65 2.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.96 123.48 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.45 -156.24 7.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 m -133.0 132.4 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -86.61 146.31 26.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 80.3 m-70 -142.37 118.54 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 18.1 mt -104.28 129.66 52.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 140.04 34.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 54.1 Cg_endo -69.74 134.05 27.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.7 p -89.06 159.51 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' LYS . 4.2 m-20 -102.59 -178.02 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 46' ' ' GLN . 16.0 tm0? -74.51 10.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 45' ' ' ASN . 32.2 mmtp -83.92 174.37 10.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 122' ' ' LYS . 18.8 m -131.26 130.02 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.52 152.87 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 51' ' ' LEU . 1.4 tm? -122.05 125.02 45.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.3 tp -136.87 132.21 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.17 123.65 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -92.68 145.08 24.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.31 136.91 32.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.84 146.44 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -98.01 -46.99 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.5 tp -154.86 116.56 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -126.49 101.98 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.1 m -140.36 162.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 tp -101.57 142.41 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.43 109.99 1.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.95 17.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.34 35.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.26 119.52 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.473 ' CE ' HG23 ' A' ' 83' ' ' ILE . 1.2 tmt? -141.19 102.04 6.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 27.8 p -102.83 135.06 45.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -143.19 102.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 3.7 mmm180 -86.5 122.05 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 t -128.44 121.08 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.95 -150.06 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -117.94 -37.98 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -117.43 18.05 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.19 136.99 49.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 HG23 ' CD ' ' A' ' 75' ' ' ARG . 7.8 p -140.23 123.72 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -88.62 139.87 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG23 ' CE ' ' A' ' 71' ' ' MET . 7.7 pt -148.33 134.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.03 119.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.11 163.35 39.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -84.0 118.53 71.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.73 9.41 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 3.2 t-20 -125.84 115.41 24.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.75 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 160.41 88.14 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 120.98 7.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.13 -45.55 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -118.91 151.46 38.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.81 -43.29 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -49.05 -43.39 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.81 13.84 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.76 -61.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 p -54.71 -43.4 72.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.1 ttt -72.89 139.47 80.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.61 33.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 m -129.84 160.78 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 62.6 m -69.91 135.01 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.48 147.14 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 7.6 tt -129.62 141.74 50.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 15.3 mt -118.6 106.97 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 32.0 mtm180 -100.08 109.57 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG11 ' N ' ' A' ' 112' ' ' ALA . 9.2 p -95.23 168.87 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -57.83 -60.02 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -115.07 143.93 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 5.6 t -49.14 -56.16 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -38.79 -39.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -67.12 -39.73 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -55.08 -61.55 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -43.79 -41.98 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.02 -44.39 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 115' ' ' LEU . 0.3 OUTLIER -60.83 -59.85 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 73' ' ' CYS . 6.7 t-80 -54.87 -40.86 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -55.93 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' LEU . 97.6 mt -48.91 -56.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ILE . 14.0 mt -35.85 -55.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -49.01 -45.56 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 118' ' ' ILE . 2.7 mm-40 -70.34 -37.88 74.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 48' ' ' THR . 28.9 mmtm -76.51 6.69 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 5.6 pttt -135.48 115.26 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 t70 65.1 34.06 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -87.48 121.43 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.4 p -140.83 106.9 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -144.68 137.96 26.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -76.75 140.94 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.9 p -163.78 177.89 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -117.45 126.32 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.89 143.51 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -145.15 132.97 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 36.1 p90 -120.24 146.71 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -93.73 115.48 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 ptmt -140.98 140.76 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.01 36.08 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.91 47.99 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -162.17 156.17 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -97.76 113.42 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.8 mmmp? -109.3 152.58 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -86.38 122.64 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -78.95 -45.44 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.63 118.78 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.14 126.76 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.42 -134.72 1.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.4 m -131.79 131.45 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.58 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 1.9 tm? -82.48 138.06 34.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.436 ' N ' ' CD1' ' A' ' 38' ' ' LEU . 42.9 m-70 -134.63 161.94 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -146.9 107.57 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -127.53 143.21 46.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.65 38.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -98.68 169.88 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.97 -46.91 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.27 177.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.96 15.9 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -111.62 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.422 HG21 ' NZ ' ' A' ' 122' ' ' LYS . 93.0 m -107.49 140.27 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 50' ' ' LEU . 28.6 tt0 -105.14 149.83 25.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -116.07 123.85 48.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 10.7 tp -138.15 119.71 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 38' ' ' LEU . 6.3 t -100.22 124.86 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -93.4 143.23 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 177.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.11 113.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.63 -54.16 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -145.07 114.08 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -118.22 110.32 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.52 158.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.6 tp -103.7 140.72 37.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 122' ' ' LYS . 90.8 mt -68.57 111.63 8.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -28.04 25.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -133.62 116.06 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 ttp -139.87 128.97 13.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 145.89 58.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.0 p -127.94 124.26 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.65 110.13 11.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 3.1 mmm180 -89.33 118.65 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.8 t -120.14 159.9 23.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.59 -150.18 35.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -97.91 -55.06 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -116.56 17.77 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -96.17 133.04 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.6 t -123.98 123.32 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 83' ' ' ILE . 1.4 tt -105.52 136.59 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.476 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.6 pt -140.36 164.64 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.14 120.12 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.9 p -155.56 158.12 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.12 110.98 18.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.645 0.736 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 139.45 40.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -129.17 113.44 18.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.48 58.35 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.343 -0.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.52 -38.1 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.47 156.85 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -99.27 -37.2 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.63 -46.66 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.8 17.9 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.85 -62.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -45.57 -46.43 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.96 162.27 65.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.99 8.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.41 149.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -85.71 109.67 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 mtp -114.52 155.83 25.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 tt -142.32 129.78 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.8 mt -101.0 137.61 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.8 120.3 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG1' ' OD2' ' A' ' 111' ' ' ASP . 27.5 m -109.55 174.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -82.44 -53.99 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 t -105.69 146.9 29.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' GLU . 11.3 m -58.8 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' SER . 5.3 pt-20 -35.4 -39.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.458 ' OD2' ' CG1' ' A' ' 106' ' ' VAL . 27.7 t0 -57.15 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.22 -61.3 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 117' ' ' LYS . 25.8 t70 -38.21 -58.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 8.4 tp10 -59.81 -53.31 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.8 tp -46.75 -45.0 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 120' ' ' LEU . 42.4 t-80 -66.17 -47.36 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 19.6 mttp -59.8 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 89.7 mt -38.84 -64.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.1 mt -39.64 -57.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 116' ' ' HIS . 39.9 mt -52.12 -36.03 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' ILE . 45.0 mt-10 -72.32 -55.34 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 67' ' ' ILE . 3.0 mtmp? -48.54 -36.98 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 4.6 pttp -81.74 -32.07 31.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.6 t70 -52.65 -49.57 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CZ ' ' NZ ' ' A' ' 122' ' ' LYS . 29.5 p90 -61.85 -39.22 91.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -93.48 133.92 36.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.9 p -140.13 106.27 5.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 18' ' ' LYS . 4.5 tmmm? -133.23 127.94 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 2.9 mppt? -87.19 126.95 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 p -161.78 177.54 9.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -111.51 165.82 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 11.4 mt -120.37 140.29 51.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 32' ' ' GLU . 94.2 m-85 -137.57 134.35 35.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -117.77 149.34 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 29.3 tptt -91.92 113.64 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 26.8 tttp -142.23 146.05 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 50.05 40.0 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 56.87 47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.51 152.05 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 22.2 m-85 -92.84 118.36 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -116.43 150.71 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 26.5 tp10 -80.93 130.25 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -83.17 -43.76 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.83 130.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.31 139.25 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.64 -148.39 6.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 38' ' ' LEU . 13.6 m -133.38 145.54 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.338 . . . . 0.0 111.193 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -93.73 136.59 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' N ' HD13 ' A' ' 38' ' ' LEU . 66.6 m-70 -133.73 149.2 51.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 48' ' ' THR . 70.2 mt -129.73 115.46 17.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.18 121.59 38.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.17 68.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.2 p -112.75 178.53 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.82 -26.47 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -81.4 17.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 56.89 35.18 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -110.93 178.34 4.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.468 ' CG2' HD22 ' A' ' 40' ' ' LEU . 46.6 m -130.38 122.92 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -99.04 131.14 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.73 115.73 24.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.5 tp -132.44 136.56 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.08 117.01 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -85.58 155.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 155.41 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.9 mt -86.31 129.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.4 mt -105.58 -37.95 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.6 tp -154.35 116.48 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -128.4 104.96 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.92 148.17 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.86 147.12 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 123' ' ' LYS . 69.2 mt -65.88 112.43 8.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.138 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.88 17.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.295 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.92 5.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -122.51 123.48 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttp -154.84 122.36 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.1 p -112.67 132.76 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -139.3 103.44 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.2 mmm180 -80.87 112.05 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.9 t -108.15 152.39 24.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.52 -151.81 17.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -110.12 -35.44 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -117.94 18.07 14.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -113.09 144.06 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -137.46 111.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.436 ' CD1' HD23 ' A' ' 103' ' ' LEU . 10.4 tp -94.13 128.34 40.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.8 pt -144.66 138.21 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 113.42 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.74 153.19 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.1 t -75.69 118.37 70.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 126.31 13.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -125.93 116.37 24.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 164.18 80.0 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.351 -0.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.28 20.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.31 -43.57 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.91 147.33 27.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.76 -42.53 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -39.56 -42.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -153.51 102.06 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 -42.47 8.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 HG21 ' N ' ' A' ' 98' ' ' MET . 7.7 t -45.06 -34.52 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.471 ' N ' HG21 ' A' ' 97' ' ' THR . 17.0 ttt -83.19 130.26 57.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.87 44.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.3 m -122.66 158.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.5 m -71.78 135.58 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.1 mmt -132.89 137.06 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -114.61 127.46 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 103' ' ' LEU . 21.5 mt -111.59 114.43 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -108.08 113.93 27.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.95 162.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -60.45 -48.88 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 127.95 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -46.22 -52.44 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.2 pt-20 -39.71 -38.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 7.4 t0 -63.68 -50.96 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.69 -53.61 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -42.13 -58.54 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -53.75 -50.82 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.4 ' CD2' ' HZ2' ' A' ' 18' ' ' LYS . 7.6 tp -51.02 -46.24 61.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 18.1 t-80 -66.42 -49.86 65.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -54.93 -57.54 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 119' ' ' LEU . 83.5 mt -53.47 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 118' ' ' ILE . 16.0 mt -32.92 -41.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.14 -60.24 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -39.4 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.465 ' NZ ' ' CZ ' ' A' ' 15' ' ' PHE . 9.4 mmpt? -53.42 -43.69 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 45.4 mttp -44.27 -51.77 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -78.71 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.798 0.332 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 35.5 p90 -71.63 -46.99 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -97.03 105.78 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -121.15 118.29 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 127.57 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.91 135.92 53.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -162.82 169.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' CG ' HG12 ' A' ' 35' ' ' ILE . 4.6 mtmp? -109.09 160.47 16.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.47 134.38 55.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.89 148.96 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 5.6 p90 -130.66 153.95 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -92.21 114.78 27.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mtmt -142.27 126.75 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 60.14 38.34 20.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 61.47 42.76 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -157.98 149.3 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -102.02 116.02 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 22.9 mmtm -105.51 157.59 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -89.58 113.67 25.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -66.11 -42.65 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.71 140.22 2.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.44 HG12 ' CG ' ' A' ' 21' ' ' LYS . 43.0 mt -77.85 128.49 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.61 -153.79 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 38' ' ' LEU . 21.6 m -130.95 141.96 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 1.8 tm? -93.97 134.43 36.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.496 ' N ' HD12 ' A' ' 38' ' ' LEU . 96.1 m-70 -134.84 113.33 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 mt -95.8 114.45 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -115.02 134.45 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.22 17.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' ASN . 17.6 p -87.27 157.1 19.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.01 -34.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.424 ' C ' ' H ' ' A' ' 47' ' ' LYS . 24.5 m120 -92.91 -178.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.05 12.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 45' ' ' ASN . 7.9 mmpt? -88.45 178.5 6.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 67' ' ' ILE . 20.6 m -129.73 128.92 43.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 50.4 tt0 -90.54 140.91 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.76 110.68 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.1 tp -129.66 136.18 49.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -131.71 115.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -86.36 143.99 27.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.56 151.64 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.748 0.309 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -90.6 124.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.58 -51.76 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.53 125.13 9.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -130.08 107.11 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -150.59 165.34 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 tp -96.27 139.73 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.462 HD11 ' CG2' ' A' ' 48' ' ' THR . 47.5 mt -73.43 118.17 66.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 170.15 17.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.329 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -37.36 9.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -129.38 114.56 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 ttp -133.24 133.58 23.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.557 0.694 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.94 16.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 137.78 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.41 138.83 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 112' ' ' ALA . 4.4 tpt85 -101.01 136.81 40.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -150.32 167.47 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.71 178.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -54.95 -48.25 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -147.63 102.03 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -150.75 165.47 33.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -148.44 101.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' C ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -91.25 129.85 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 82' ' ' LEU . 25.5 pt -151.28 145.12 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.69 122.16 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -155.48 161.7 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.65 115.21 45.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.387 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.412 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 47.1 m-20 -124.62 118.32 26.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 54.6 Cg_endo -69.71 166.01 75.02 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.384 -0.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.19 4.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.0 mt -57.37 -44.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.95 162.63 12.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.19 -37.41 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -40.8 -44.9 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.81 102.89 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.6 -43.09 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 t -52.06 -28.75 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.5 mtp -86.53 132.11 43.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 165.72 30.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.25 158.59 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -71.9 115.5 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.6 mtp -114.41 150.18 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 104' ' ' ILE . 5.7 tt -144.71 142.67 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.446 ' N ' HD22 ' A' ' 103' ' ' LEU . 23.7 mt -120.01 143.57 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.432 ' N ' HG21 ' A' ' 104' ' ' ILE . 3.6 tmt_? -118.76 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 31.6 m -100.76 179.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -82.62 -57.19 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -107.65 146.75 31.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.9 p -51.19 -54.73 22.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -43.06 -32.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -62.07 -52.11 65.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 75' ' ' ARG . . . -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.06 -46.36 78.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.33 -64.0 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.1 tp -53.85 -41.12 67.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -54.94 -44.01 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -73.81 -54.46 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.2 mt -46.95 -46.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.45 -42.95 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.98 -31.24 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -80.03 -34.72 38.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.52 -48.85 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 27.4 pttt -47.51 -36.24 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -84.59 -44.28 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p90 -79.74 -40.64 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 64.3 t80 -98.45 128.37 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.9 p -138.96 118.66 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 136.84 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -79.12 142.48 36.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -165.88 168.44 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HD3' ' CD ' ' A' ' 32' ' ' GLU . 1.8 ttmp? -102.92 138.33 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.47 146.43 27.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 82.1 m-85 -146.65 129.18 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -110.29 149.64 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -90.03 112.52 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -136.92 131.7 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 57.97 39.04 26.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 t30 61.18 42.81 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -156.58 154.53 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.4 m-85 -96.97 111.05 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -104.92 151.96 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 11.7 tt0 -81.0 125.63 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -81.8 -43.09 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.9 136.98 2.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.39 140.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.18 -154.46 12.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.9 m -131.59 139.06 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.582 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 1.6 tm? -92.8 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' N ' HD11 ' A' ' 38' ' ' LEU . 92.9 m-70 -133.87 127.47 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -107.4 108.2 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.7 132.36 21.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 132.41 23.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 p -86.66 162.67 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -97.69 179.2 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.59 -3.21 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -68.77 173.88 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 m -131.01 128.61 40.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -91.27 147.54 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.9 117.09 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 64' ' ' ASN . 22.3 tp -135.26 152.84 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' CG2' HD23 ' A' ' 38' ' ' LEU . 92.2 t -137.71 126.96 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -93.21 126.94 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . . . -81.55 159.46 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -78.94 120.2 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 21.0 mt -83.16 -55.92 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' A' ' 88' ' ' ASN . 42.4 tp -149.1 133.46 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' CG ' HD11 ' A' ' 51' ' ' LEU . 40.5 t-20 -143.61 104.58 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.73 175.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -110.17 133.89 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.87 117.38 35.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.18 24.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -126.84 106.32 9.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -132.23 127.46 20.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.77 127.17 14.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.9 p -113.09 122.78 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.91 147.3 32.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -117.9 148.16 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 t -150.54 166.71 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.07 -176.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -59.06 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -139.43 101.99 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -150.22 169.89 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.0 t -149.09 107.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 101' ' ' THR . 4.6 tp -96.68 128.35 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 pt -150.68 134.77 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' HB ' ' CG ' ' A' ' 72' ' ' PRO . 97.8 t -96.89 118.34 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.94 162.68 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.3 t -77.68 118.35 71.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.405 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 13.9 t-20 -128.79 117.76 19.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.76 167.41 71.12 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.63 68.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.97 -41.51 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.83 168.19 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -97.19 -33.27 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -82.26 -54.02 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.46 12.93 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.75 -63.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.7 p -52.0 -45.44 64.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.406 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 24.4 ttm -69.27 138.47 89.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.523 0.678 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 53.9 Cg_endo -69.71 162.93 40.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.61 160.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.482 ' CG2' HD12 ' A' ' 82' ' ' LEU . 99.6 m -75.81 131.86 40.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 mtp -126.18 124.06 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -113.34 118.45 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.57 129.02 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -106.35 122.94 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 29.5 m -110.4 178.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -78.36 -68.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.85 155.2 18.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ASP . 32.6 t -63.32 -49.37 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 34.3 t0 -75.87 -49.98 16.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.46 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' NH2' ' A' ' 75' ' ' ARG . 30.3 t70 -64.42 -54.5 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -66.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.4 tp -47.28 -62.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.461 ' CE1' HD23 ' A' ' 120' ' ' LEU . 3.7 t-80 -47.01 -46.7 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -60.77 -40.23 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -50.59 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.5 -36.63 84.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.461 HD23 ' CE1' ' A' ' 116' ' ' HIS . 1.9 tp -70.48 -49.68 45.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.96 -50.87 53.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 2.6 pttp -67.51 -29.78 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 26.4 t0 -63.38 -56.29 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.7 p90 -85.42 -44.39 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 90.4 t80 -98.72 123.03 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -138.98 110.62 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -140.99 137.34 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -76.64 138.35 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.3 p -168.07 177.89 5.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 1.1 ttmp? -124.69 134.24 52.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 104' ' ' ILE . 10.3 mt -83.46 160.34 21.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 78.4 m-85 -154.04 130.1 10.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 22.2 p90 -124.0 147.92 47.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -85.5 115.87 23.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -139.01 120.26 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 63.9 39.4 8.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.5 m120 61.93 37.27 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -150.1 152.71 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -93.26 112.86 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 9.4 mmmt -113.92 111.46 21.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 4.1 pt-20 -61.14 116.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -53.1 -33.66 53.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.85 166.96 14.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 36' ' ' GLY . 50.8 mt -86.16 138.02 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 35' ' ' ILE . . . -177.83 -165.74 33.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.572 HG21 ' CE1' ' A' ' 39' ' ' HIS . 19.7 m -126.45 141.07 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 2.5 tm? -90.36 137.83 32.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' HG21 ' A' ' 37' ' ' THR . 31.6 m-70 -140.03 129.23 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -113.09 133.03 55.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.51 143.12 22.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 0.0 110.937 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.07 68.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 p -108.7 172.0 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.61 71.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -80.58 14.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 62.21 34.78 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -112.37 175.39 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -113.25 107.84 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.68 145.76 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 tt -103.32 143.14 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 tp -146.72 134.72 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 38' ' ' LEU . 79.2 t -128.6 116.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -95.43 146.39 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.39 150.93 44.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.17 121.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.77 -43.52 13.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 tp -154.07 117.91 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -128.84 112.09 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -152.56 166.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.0 tp -100.72 151.92 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.7 mt -81.62 112.67 36.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.47 18.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.337 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -32.51 18.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -123.62 106.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.4 ttp -133.54 118.54 14.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 135.1 29.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 29.7 p -115.67 137.23 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.3 p -140.41 102.61 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -76.34 114.66 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 154.78 32.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.48 -160.62 17.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.43 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -96.31 -46.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.471 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 51.8 p-10 -117.8 17.96 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -101.99 148.2 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -136.09 108.95 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 101' ' ' THR . 9.0 mt -91.48 129.34 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 pt -141.6 153.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.61 115.56 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.36 153.37 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.76 120.33 79.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.54 17.77 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 2.5 m-80 -131.57 116.01 16.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.78 75.83 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.345 -0.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 149.38 66.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.4 mt -97.57 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.09 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.53 -37.98 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -66.13 -27.47 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 25.2 m-80 -154.5 102.08 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.76 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.5 m -49.74 -40.34 40.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.1 mmm -76.76 136.58 66.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.82 55.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.99 160.41 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.469 ' CG2' HD22 ' A' ' 82' ' ' LEU . 56.8 m -69.14 133.11 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.2 mtp -132.34 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 tt -132.0 150.05 52.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.487 ' CD1' HD21 ' A' ' 22' ' ' LEU . 18.9 mm -131.87 126.31 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -115.75 101.99 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 112' ' ' ALA . 10.4 p -82.92 164.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.414 ' N ' HG21 ' A' ' 106' ' ' VAL . 8.2 tmtt? -44.49 -68.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 8.8 t -114.24 134.25 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 87.7 p -41.0 -54.45 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.6 pt-20 -38.03 -38.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 14.0 m-20 -69.22 -43.71 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 106' ' ' VAL . . . -47.76 -52.22 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -46.9 -49.23 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.12 -44.67 96.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.17 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 9.1 t-80 -55.28 -50.71 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -40.73 -58.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.54 -66.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.426 ' CD1' ' H ' ' A' ' 119' ' ' LEU . 7.1 mp -40.95 -56.27 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.1 mm? -47.62 -37.91 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -76.74 -52.65 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -50.76 -48.32 59.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 9.6 pttp -61.1 -44.07 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 83.6 m-20 -48.68 -48.16 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 32.3 p90 -81.42 -42.01 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -108.57 108.23 19.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -130.54 110.43 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -145.08 140.29 27.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -70.78 139.61 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -166.25 166.34 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 41.7 mttt -98.23 168.82 10.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.01 131.31 32.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 50.2 m-85 -132.53 144.8 50.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 46.4 p90 -126.74 147.82 49.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -86.56 115.12 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -137.79 125.31 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 54.91 39.54 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 62.82 45.46 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -155.38 155.08 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -105.21 111.54 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 11.6 mmmm -108.04 124.82 50.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 36.6 tt0 -60.85 106.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.32 -47.63 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.37 135.54 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 mm -64.99 143.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.78 -160.54 29.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 m -129.11 144.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -100.75 137.91 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -134.38 121.22 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 25.4 mt -96.94 117.74 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -144.42 142.29 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.45 63.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLN . 12.9 t -112.01 159.87 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 12.8 m120 -82.24 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' CG ' ' O ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 49.56 32.02 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -125.97 163.93 21.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -80.96 113.09 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -101.22 121.27 41.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.3 tp -85.76 134.86 33.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -142.58 120.51 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.3 t -114.98 115.53 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -99.31 131.77 45.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 142.82 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 19.5 p30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 116.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -91.98 -50.56 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -153.59 112.59 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -121.74 111.96 17.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.2 m -151.63 171.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.63 145.62 40.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -81.3 111.43 24.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.252 . . . . 0.0 112.33 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.46 32.01 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -126.53 102.99 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttp -145.87 121.01 5.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.12 34.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 55.8 m -117.25 134.15 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.8 104.6 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' CD ' HG22 ' A' ' 81' ' ' VAL . 2.4 mmm180 -85.58 114.96 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 t -107.18 155.17 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.05 -146.73 9.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.503 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -114.69 -31.84 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -117.98 14.82 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.42 148.13 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.8 t -138.78 118.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.51 139.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.2 pt -155.63 151.0 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.62 120.48 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 p -155.55 156.75 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.39 116.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.83 19.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.415 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 5.8 m-20 -123.11 116.04 28.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.81 78.35 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.346 -0.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.88 46.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.0 mm -53.84 -45.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -142.83 166.48 24.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -76.04 -40.58 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -60.73 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.78 13.1 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.18 38.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 78.6 p -63.18 -42.28 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 28.5 mtp -76.59 134.38 69.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.45 157.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.3 m -71.82 114.88 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.3 mmt -115.44 130.87 57.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 104' ' ' ILE . 2.9 tt -115.78 146.74 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.467 ' N ' HD21 ' A' ' 103' ' ' LEU . 4.7 mp -120.99 122.92 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -110.37 109.14 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.27 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.11 -50.03 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.0 p -113.5 132.15 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -48.16 -52.44 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.94 -38.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -60.71 -57.88 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.28 -42.26 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.13 -48.5 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LYS . 6.2 tp10 -62.85 -61.18 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 27.5 tp -37.65 -48.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.541 ' CE1' HD22 ' A' ' 120' ' ' LEU . 11.0 t-80 -57.53 -43.54 84.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' GLU . 32.9 mmtt -52.17 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 121' ' ' GLU . 4.6 mp -54.81 -60.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -39.29 -42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.4 mm? -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 118' ' ' ILE . 40.6 mt-10 -77.94 -30.5 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -78.83 11.79 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.547 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 2.8 pttp -137.65 113.37 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t0 62.06 34.44 16.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -87.54 125.47 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 169.15 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -95.61 140.48 30.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -155.98 138.75 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -53.65 -56.14 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.12 129.8 38.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 21.2 p90 -78.62 -42.22 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -110.08 106.81 16.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -129.51 117.82 21.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -150.78 145.19 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -74.84 141.64 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 p -164.23 171.52 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 27.1 mttp -117.91 134.93 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.32 147.67 22.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 67.2 m-85 -153.12 123.27 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 8.2 p90 -104.14 154.47 19.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -92.56 118.2 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -140.55 115.83 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.2 t70 66.59 43.95 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 58.55 41.19 22.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.34 160.78 41.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.26 127.0 54.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mmtt -118.36 131.68 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 14.6 tt0 -65.19 110.95 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -67.94 -43.92 77.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.87 127.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 mt -64.5 132.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . -170.76 -171.12 35.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 m -121.45 135.89 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.2 tt -82.67 138.71 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -130.47 107.73 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mt -96.51 119.13 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.99 150.86 50.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 147.82 64.18 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.7 t -112.58 171.33 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.82 -44.34 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -81.73 178.04 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.57 7.22 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -94.81 168.45 10.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.9 m -104.18 133.67 48.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -95.64 129.49 42.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 51' ' ' LEU . 1.5 tm? -99.37 124.69 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.3 tp -136.32 146.95 47.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.8 t -137.43 116.89 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -92.67 142.39 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.98 134.07 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 13.3 t0 -63.6 -46.49 85.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -53.9 159.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -42.94 -49.34 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 113.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.88 76.0 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -107.64 143.7 35.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -71.29 120.05 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.33 -50.15 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.75 118.37 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -127.64 103.77 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.55 175.35 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.5 mt -113.73 122.24 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -54.08 108.72 1.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 168.49 21.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.31 11.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -113.8 106.96 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -144.44 118.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.51 0.671 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.14 67.97 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 28.0 p -120.33 140.64 50.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -142.59 106.02 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 2.2 mmm180 -93.51 112.69 24.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -108.13 157.15 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.04 -145.71 20.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -115.85 -35.43 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 17.5 p-10 -117.96 16.53 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -110.2 151.21 27.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.6 t -145.55 135.49 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.51 146.3 47.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 pt -153.18 145.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.72 117.19 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.4 p -154.73 160.99 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.4 t -80.22 116.28 60.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -127.68 117.2 21.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 155.62 93.16 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.87 31.62 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.7 mt -76.08 -43.59 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -94.51 146.0 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -88.63 -37.01 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -79.46 -44.75 20.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.15 7.8 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.7 -64.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.5 p -50.41 -47.17 56.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 136.36 83.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.77 26.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.57 157.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -73.31 127.15 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mmt -125.17 138.0 54.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 tt -121.35 135.74 55.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.26 116.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -101.28 113.42 26.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.22 177.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -83.37 -47.09 11.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.0 124.33 51.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.429 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -45.88 -21.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.72 -44.44 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -59.05 -40.04 83.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.82 -62.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -45.89 -55.84 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.433 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.5 tp10 -52.82 -48.58 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.24 -45.48 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 120' ' ' LEU . 31.3 t-80 -66.77 -46.0 76.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -56.43 -58.51 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 31.8 mt -45.19 -55.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.9 mt -43.93 -55.82 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 116' ' ' HIS . 19.3 mt -47.28 -46.14 24.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.86 -44.51 80.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -57.22 -46.12 83.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -71.51 -23.82 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.06 -52.51 65.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -106.66 17.15 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.44 128.64 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -80.3 2.58 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -143.47 152.95 42.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.85 -44.1 17.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.1 118.73 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 40.4 p90 -58.4 -46.65 86.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -102.11 126.13 48.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -140.72 110.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -142.59 128.21 19.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 140.56 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -165.89 172.7 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -105.9 157.94 17.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -120.86 137.24 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 70.8 m-85 -140.99 150.33 42.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 4.9 p90 -135.0 158.71 43.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -88.27 111.54 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -141.47 123.07 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 60.86 39.0 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 58.51 45.47 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -159.14 153.89 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -98.65 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 28.7 mmtp -101.0 142.33 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 12.7 tt0 -78.38 114.99 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.57 -42.94 86.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.37 125.86 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.6 mt -65.3 153.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . 173.3 -157.27 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.8 m -126.05 134.94 51.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 2.0 tm? -87.83 137.99 31.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.469 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.4 m-70 -137.12 113.05 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 10.8 mt -92.41 120.01 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -128.62 137.96 32.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.97 62.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.407 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.7 t -110.5 162.31 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.09 -46.32 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -74.67 177.65 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -79.53 9.82 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -95.87 172.96 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' HD23 ' A' ' 40' ' ' LEU . 92.9 m -112.85 140.27 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.59 113.59 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.73 136.9 33.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tp -140.65 128.95 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -119.73 111.92 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HD3' ' NE2' ' A' ' 39' ' ' HIS . 8.5 ptm180 -93.05 142.2 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.19 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 5.8 t70 -60.23 -43.16 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -52.22 145.41 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -45.28 -39.64 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.35 106.84 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.83 114.39 4.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 12.2 p-10 -135.42 164.03 28.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -92.68 112.94 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.46 -44.54 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 tp -157.75 119.08 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -125.42 120.88 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -152.75 163.72 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.7 mt -109.26 122.49 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.59 112.97 5.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.94 17.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -27.25 26.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.14 106.87 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttp -137.45 131.25 17.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.6 p -128.33 129.55 46.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.13 119.37 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 1.9 mmm180 -96.8 110.94 23.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.45 HG21 ' CB ' ' A' ' 80' ' ' ASN . 10.7 t -108.53 166.58 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.25 -153.8 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -97.25 -50.14 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' CB ' HG21 ' A' ' 76' ' ' THR . 23.2 m120 -95.33 143.48 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -134.99 122.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tp -103.34 136.96 42.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.0 pt -146.11 146.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 t -110.88 116.7 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.5 m -153.05 154.22 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.6 111.57 20.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.9 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.45 114.75 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 170.0 60.3 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.335 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.23 -37.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -134.52 145.36 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -84.49 -23.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -47.8 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.25 17.55 23.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -48.38 -67.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 96' ' ' ALA . 38.6 p -36.92 -48.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.7 160.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 164.83 33.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.1 p -110.59 151.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -89.67 110.33 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.3 mtp -116.22 150.88 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 tt -128.05 132.57 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.3 mt -101.09 143.74 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -132.08 117.13 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.86 177.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -71.15 -65.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 3.2 t -113.86 144.48 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 112' ' ' ALA . 9.4 t -45.1 -51.91 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 4.8 pt-20 -41.18 -32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 79.7 m-20 -71.22 -44.43 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -57.26 -51.52 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -46.92 -60.54 2.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.3 -43.48 61.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' HIS . 29.3 tp -58.92 -67.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.419 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 8.1 t-80 -36.5 -58.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 120' ' ' LEU . 28.9 tttp -37.02 -66.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.4 mt -37.09 -59.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.423 ' CD1' ' H ' ' A' ' 119' ' ' LEU . 6.8 mp -43.93 -38.62 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HA ' ' CG ' ' A' ' 123' ' ' LYS . 4.0 mm? -76.38 -40.96 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.29 -23.92 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -93.6 -46.22 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -59.44 -28.58 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.59 -49.47 68.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -61.87 124.29 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 169.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -109.34 13.98 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.24 137.16 52.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -51.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -75.91 114.56 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 17.0 p90 -56.21 -49.25 74.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -98.7 118.7 36.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -133.49 109.19 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.34 136.8 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.73 139.1 43.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -163.64 166.22 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 11.6 mtmm -113.65 136.55 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.85 146.54 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 83.9 m-85 -152.28 126.88 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 28.9 p90 -107.0 160.09 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -92.58 115.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -135.93 121.67 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.36 40.55 24.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.42 41.35 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -152.8 161.64 42.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -101.4 112.12 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 4.2 mmpt? -105.01 134.48 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 6.3 tt0 -62.83 130.4 44.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -94.6 -43.45 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.62 121.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.77 133.9 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.4 -152.12 8.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -131.15 149.38 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD22 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -96.44 142.79 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 59.2 m-70 -142.95 126.63 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.1 mt -103.48 128.43 50.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -121.26 135.75 25.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.96 18.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.419 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 24.6 p -92.22 153.0 19.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -32.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' THR . 7.8 m-20 -94.46 -179.32 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -73.15 6.07 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -83.01 173.25 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.1 m -131.36 121.8 25.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 46.3 tt0 -91.11 153.46 20.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -121.48 141.69 50.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 tp -143.27 143.52 31.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.67 123.2 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -97.6 127.47 43.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 177.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -88.05 17.84 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -97.28 148.94 22.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 1.6 t-20 -68.14 -48.54 65.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tp -49.72 -47.42 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.24 117.95 4.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -140.1 129.12 23.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.17 121.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.3 mt -93.0 -50.56 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -146.62 125.27 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -133.68 102.29 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.15 150.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.48 133.94 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.82 110.94 3.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 170.08 17.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.87 31.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -146.5 123.02 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 ttp -152.23 119.58 3.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 133.16 24.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.55 134.5 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -140.38 122.89 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -91.82 131.25 37.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.1 t -140.62 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.86 -165.91 6.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -83.69 -55.81 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 26.6 p30 -117.86 17.92 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -93.19 153.73 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.2 t -141.93 124.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD21 ' CG2' ' A' ' 101' ' ' THR . 9.2 mt -100.39 124.77 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 pt -138.1 140.21 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.5 116.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.44 158.2 38.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.17 121.3 84.39 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.1 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.81 41.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -144.2 113.37 5.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 170.09 60.24 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.321 -0.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.91 55.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.437 HD11 ' CB ' ' A' ' 24' ' ' TYR . 21.4 mt -87.88 -43.38 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.95 161.23 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -102.99 -37.44 7.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -37.78 -43.76 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -154.91 102.65 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.04 -51.61 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -40.57 -40.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtp -80.09 140.34 53.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 172.36 12.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.12 156.24 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.435 ' CG2' HD21 ' A' ' 82' ' ' LEU . 69.3 m -69.52 135.64 50.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.3 mmt -127.99 149.48 50.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 103' ' ' LEU . 1.2 tm? -130.99 118.7 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -103.08 120.74 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 105' ' ' ARG . 4.6 tmt_? -110.04 107.89 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 34.9 m -89.46 172.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -70.08 -40.59 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.6 p -132.24 139.62 48.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 33.4 t -50.44 -50.81 51.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.6 pt-20 -43.16 -39.27 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 10.2 m-20 -65.52 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.33 93.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -49.27 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.52 -49.47 75.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.3 -43.42 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.492 ' CE1' HD22 ' A' ' 120' ' ' LEU . 26.6 t-80 -64.53 -43.94 92.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -59.58 -51.13 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.4 mt -53.62 -57.85 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.32 -38.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.492 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.4 mm? -74.64 -43.65 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.07 -48.56 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -78.15 9.77 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' CE ' HD13 ' A' ' 120' ' ' LEU . 11.2 ttpp -130.81 101.97 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t70 62.88 42.15 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 10' ' ' LYS . 11.4 p -149.38 139.99 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 9' ' ' VAL . 5.6 mtpm? -143.5 115.1 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.17 -2.59 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.26 144.51 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -42.19 -48.84 4.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.14 137.59 32.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.6 p90 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 17.2 t80 -86.81 121.39 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.1 p -141.79 115.91 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -152.88 129.37 10.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 142.66 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.63 177.54 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.2 mtmt -112.52 160.19 18.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -118.06 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 56.7 m-85 -149.44 145.8 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 2.8 p90 -129.34 153.07 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -84.91 107.16 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 50.4 mttp -142.03 137.69 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 55.27 36.32 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 56.93 35.1 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -154.26 142.93 20.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -83.66 112.14 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 31.3 mttp -105.17 164.9 11.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' CD ' HD12 ' A' ' 35' ' ' ILE . 22.0 tt0 -96.08 124.9 40.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -88.87 -44.6 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.63 137.64 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 36' ' ' GLY . 28.8 mm -80.68 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' HG21 ' A' ' 35' ' ' ILE . . . 171.9 -156.62 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -129.84 146.69 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.81 139.24 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -141.8 124.8 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -107.4 128.13 54.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -128.54 133.45 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.95 18.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 23.3 p -80.09 158.04 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.23 -27.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 3.1 m120 -102.52 -179.0 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.19 2.65 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -78.51 174.14 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.1 m -131.33 134.34 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 14.6 tt0 -114.74 143.26 45.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 51' ' ' LEU . 9.0 tt -103.13 145.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 40.9 tp -144.71 147.2 32.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.2 t -138.62 129.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -100.93 146.82 26.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.67 167.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB2' ' C ' ' A' ' 35' ' ' ILE . 0.7 OUTLIER -101.87 -32.18 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -80.9 16.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m120 62.31 47.93 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 58' ' ' LEU . 10.0 tt -111.92 140.26 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.97 80.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -155.93 151.13 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.2 mt -98.74 117.68 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.01 -49.9 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 tp -150.45 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.424 ' C ' HG11 ' A' ' 65' ' ' VAL . 19.2 t-20 -137.43 104.39 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 HG11 ' C ' ' A' ' 64' ' ' ASN . 32.0 m -146.46 177.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mt -107.39 148.26 29.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.34 121.69 61.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.66 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 54.0 Cg_endo -69.81 108.14 2.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 2.6 m120 66.3 47.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.713 ' N ' ' HZ1' ' A' ' 123' ' ' LYS . 13.9 tmm? -53.34 122.83 32.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 127.29 14.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 32.1 p -109.81 133.23 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.42 107.04 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 tpt85 -84.12 116.33 22.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -123.43 163.14 21.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.95 12.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -97.98 -50.86 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 46.1 p30 -117.68 17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -93.22 138.81 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.21 104.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tp -87.87 144.49 26.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 pt -157.27 151.25 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.74 115.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 p -155.5 152.85 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -69.34 120.77 79.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.16 6.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.412 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 29.0 t30 -119.6 118.37 32.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.04 65.32 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.346 -0.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 104.11 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -49.26 -42.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.98 176.77 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.77 -35.3 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -60.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.09 17.76 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.97 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 p -41.28 -49.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.7 mtp -76.77 144.49 73.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.7 18.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.22 152.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.9 m -69.24 107.71 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.9 mtp -107.53 135.73 48.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 104' ' ' ILE . 1.9 tt -115.92 142.41 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.416 ' N ' HD22 ' A' ' 103' ' ' LEU . 18.9 mt -116.15 133.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -121.39 106.94 11.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' CG2' ' H ' ' A' ' 107' ' ' LYS . 10.3 p -86.63 168.04 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.404 ' H ' ' CG2' ' A' ' 106' ' ' VAL . 17.7 tptt -66.86 -53.28 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.8 p -120.12 127.33 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' ALA . 47.3 t -42.8 -50.99 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' SER . 6.8 pt-20 -35.91 -41.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.64 -47.43 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -51.95 -53.04 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.98 -54.39 42.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.53 -44.98 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.569 ' CE1' HD22 ' A' ' 120' ' ' LEU . 22.0 t-80 -68.06 -54.65 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -41.74 -66.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' GLU . 39.8 mt -39.75 -61.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.2 mt -38.61 -55.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.2 mm? -54.66 -38.28 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' ILE . 60.3 mm-40 -69.41 -49.34 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -53.9 -48.7 69.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.713 ' HZ1' ' N ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -75.35 -41.16 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 5.0 m-20 -45.63 -54.92 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 10' ' ' LYS . 75.7 t -139.63 137.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 9' ' ' VAL . 30.0 mtmt -122.86 145.74 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -92.2 133.65 35.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -145.41 131.61 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.85 -44.96 67.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 131.72 40.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 122' ' ' LYS . 44.7 p90 -80.73 -47.65 13.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 79.3 t80 -98.33 112.11 24.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.6 p -132.91 116.48 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 137.72 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -71.67 145.2 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -167.51 163.73 14.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 23' ' ' PHE . 11.2 ttmt -95.02 159.22 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.7 mt -125.76 144.95 50.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 21' ' ' LYS . 96.4 m-85 -148.96 154.92 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -136.97 141.51 42.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -86.03 103.61 14.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -129.51 122.08 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 63.45 42.11 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 58.21 46.1 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -156.8 154.13 29.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -104.88 107.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -114.9 122.81 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -60.08 144.2 50.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -96.12 -30.54 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.69 138.32 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 130.8 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 -153.15 7.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.3 m -132.59 142.35 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.6 tt -91.2 143.22 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -138.52 113.28 9.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.57 113.67 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.3 140.44 37.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.544 0.688 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.35 68.86 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.4 t -118.68 170.74 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.82 -33.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -93.54 163.33 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -62.81 -7.77 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -81.77 168.18 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 49' ' ' GLN . 87.2 m -106.86 152.51 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' HG22 ' A' ' 48' ' ' THR . 44.7 tt0 -111.54 121.65 45.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -84.18 117.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 50' ' ' LEU . 23.5 tp -130.82 125.45 33.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -115.19 113.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -92.61 117.23 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 161.89 12.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 37.9 t0 -111.1 103.99 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 59' ' ' GLY . 15.3 t -156.81 167.82 29.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 56' ' ' THR . 84.9 m-20 -34.87 -62.15 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.71 -64.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 56' ' ' THR . . . 127.99 151.04 7.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.38 173.39 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.55 127.02 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -97.37 -44.45 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 tp -155.3 117.63 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -129.56 107.49 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -147.41 171.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.5 tp -113.0 117.24 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.6 mt -52.74 109.96 1.71 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.89 17.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.95 22.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -139.74 106.17 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ttp -143.84 113.72 5.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.22 42.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.5 t -124.42 142.79 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.22 114.71 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -81.91 125.37 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 t -131.66 155.08 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.39 -158.07 23.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.63 -50.97 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -114.27 15.68 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -101.39 151.64 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -142.7 120.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.61 141.14 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.8 pt -157.54 142.55 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.9 t -101.0 118.02 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.7 p -155.25 152.1 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.0 111.69 9.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 4.1 m-20 -120.74 116.61 31.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.18 72.02 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.358 -0.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.36 60.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.67 -42.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 27.0 p-10 -140.5 176.94 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.98 -34.94 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.81 -62.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -88.99 15.53 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' ASP . . . -53.15 -56.54 15.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 t -57.58 -20.42 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.475 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 ttt -95.58 139.98 22.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 54.4 Cg_endo -69.73 161.81 44.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.11 156.16 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 138.59 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.87 138.1 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.71 119.38 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.95 113.14 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -110.03 129.78 55.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 108' ' ' THR . 6.2 p -98.43 168.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.16 -53.96 50.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 46.1 p -113.26 134.31 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.9 p -47.04 -52.02 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.14 -50.24 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -52.28 -45.29 65.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.41 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.09 -40.66 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.7 tp10 -68.64 -53.57 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -44.0 -48.25 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 120' ' ' LEU . 19.7 t-80 -54.25 -48.05 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' LEU . 2.8 mptm? -67.03 -58.8 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 73.2 mt -41.45 -45.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 116' ' ' HIS . 93.3 mt -79.38 -26.76 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -80.21 -31.16 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 33.4 mmtm -78.64 -44.19 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -56.47 -33.75 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 125' ' ' ALA . 0.4 OUTLIER -79.19 -45.66 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -93.37 18.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -81.54 126.73 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.29 131.22 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -144.9 139.09 27.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.24 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -61.57 140.43 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 15.3 p90 -88.9 -45.25 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 47.8 t80 -91.86 118.88 31.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -135.17 121.12 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 139.29 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -69.29 144.96 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -165.28 169.05 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 20.2 mttm -116.4 125.33 51.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.75 127.26 34.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 98.0 m-85 -126.82 125.61 41.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 27.7 p90 -107.8 150.6 26.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 38.9 tptt -97.8 117.64 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -141.05 142.65 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 52.54 33.51 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 65.46 39.68 5.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -100.31 116.95 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 20.2 mmmt -116.06 133.94 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -66.46 130.0 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 30.0 tptt -86.09 -41.98 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.94 134.37 1.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -71.48 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.56 -164.14 21.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -122.76 140.08 53.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 2.7 tm? -90.54 137.0 32.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 38' ' ' LEU . 96.4 m-70 -135.57 111.78 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -97.05 106.47 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 136.27 19.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.23 20.82 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 18.6 p -88.46 159.75 17.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.02 -32.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 2.5 t-20 -94.59 -178.85 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -75.54 10.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -85.67 178.72 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 10.0 tt0 -96.52 149.33 21.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.41 114.11 20.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -134.09 133.91 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -122.77 127.41 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.82 142.34 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.15 170.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.04 -41.55 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -60.23 152.79 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' LEU . 45.7 m-80 -49.04 -48.74 43.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' ASN . 22.8 mt -34.05 -48.36 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 100.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.04 146.45 33.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.82 125.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.19 -46.55 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -155.18 115.17 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -125.19 102.39 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 m -140.06 147.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.77 131.36 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.97 112.01 6.56 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.89 17.88 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -5.5 16.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.84 117.7 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttt -147.14 119.56 4.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.56 19.56 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.0 m -112.28 146.19 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.81 117.71 9.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -85.58 127.62 34.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -140.82 139.65 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.33 -148.39 50.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -117.69 -37.99 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -117.91 17.94 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -115.54 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.69 109.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -86.82 124.4 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 82' ' ' LEU . 46.8 pt -152.1 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.72 126.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 p -155.35 147.72 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -73.85 119.67 77.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 123.45 10.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -127.19 115.57 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.21 91.22 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.373 -0.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 144.78 55.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.84 -41.51 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -131.91 120.44 22.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -52.73 -25.71 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -54.2 46.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.73 16.32 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.26 -50.6 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.7 m -65.76 -43.03 90.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.73 132.38 74.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.89 40.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.12 159.66 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 98.9 m -70.64 103.27 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.82 145.52 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.3 tt -136.1 146.52 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 104' ' ' ILE . 5.2 mp -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -101.81 120.06 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.0 166.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -60.95 -62.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 46.1 p -111.97 142.73 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -49.77 -41.06 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.8 pt-20 -51.89 -38.23 55.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 53.5 m-20 -64.36 -41.12 96.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.07 -59.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -44.13 -48.35 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -55.71 -62.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.67 -44.54 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -63.29 -46.37 87.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -56.89 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLU . 80.2 mt -47.39 -66.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.02 -49.54 3.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.55 -37.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.6 mm-40 -75.09 -41.14 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.43 -45.74 91.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 21.2 pttt -63.01 -37.28 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 5.5 t0 -48.62 -52.56 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.94 133.82 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -113.67 151.57 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -72.27 174.65 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.06 -8.41 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -98.03 -38.86 9.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.33 138.34 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 38.9 p90 -78.64 -48.27 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.0 120.04 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 p -139.01 111.84 7.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -146.89 128.48 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 139.66 56.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 p -161.12 162.5 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -93.76 173.27 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.6 mt -139.49 139.54 37.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 53.0 m-85 -151.08 138.47 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 21.6 p90 -118.58 150.7 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -88.58 116.9 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.24 127.69 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 55.96 39.18 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.9 t30 61.15 44.73 9.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -156.72 147.06 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.97 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 27.9 mmtt -94.43 158.66 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -92.36 121.07 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -40.47 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.33 2.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.0 mm -72.4 149.41 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 35' ' ' ILE . . . 175.93 -157.77 24.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -128.88 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -90.11 139.38 30.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -138.23 122.49 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 37.1 mt -103.67 115.53 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.42 144.71 46.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.6 30.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.1 t -100.27 172.23 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.45 -43.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -91.06 176.59 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.87 2.47 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -81.12 168.42 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.6 m -108.14 136.58 47.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.59 117.23 34.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 40' ' ' LEU . 1.1 tm? -81.8 118.3 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.7 141.6 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.22 113.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.06 135.25 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.91 174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -94.6 -18.36 21.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.15 139.33 39.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' LEU . 69.1 m-80 -42.92 -60.49 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -36.39 -36.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.31 136.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.44 15.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.36 110.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.29 -53.64 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -150.43 120.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.4 105.93 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.57 159.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.0 mt -98.76 135.26 40.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -67.98 112.32 10.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 0.0 111.096 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.5 21.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.14 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.35 109.27 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.2 ttp -143.04 122.19 7.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.21 14.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.416 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 72.9 m -114.14 133.8 55.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -137.01 117.34 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -92.08 111.85 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.6 t -115.25 166.52 11.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.14 -153.13 35.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -97.1 -55.94 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 79' ' ' ASN . 23.7 p-10 -117.07 17.14 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.01 151.11 21.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.15 105.5 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -92.59 139.5 30.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 pt -154.2 166.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.82 113.09 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.22 146.77 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.15 118.35 60.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.414 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 4.2 m120 -125.46 120.09 24.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.79 161.15 86.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.97 43.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -78.02 -42.41 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.28 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -114.86 -34.3 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -79.47 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -79.76 11.15 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.33 -65.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -43.2 -49.24 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.0 ttt -64.64 133.5 95.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 156.3 63.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.57 152.39 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.6 m -68.95 133.73 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.4 mtp -130.81 142.97 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.27 139.23 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.4 mt -127.36 127.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -103.47 115.85 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 112' ' ' ALA . 27.5 m -97.03 177.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -49.52 -61.64 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 p -145.69 168.55 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -47.68 -30.93 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 2.0 tp10 -65.58 -40.98 93.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.17 -36.85 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.468 ' N ' HG22 ' A' ' 106' ' ' VAL . . . -54.56 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -39.25 -61.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -44.47 -55.35 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.14 -59.11 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.571 ' CE1' HD23 ' A' ' 120' ' ' LEU . 53.7 t-80 -47.54 -64.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -38.3 -66.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.8 mt -37.13 -65.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -44.17 -44.68 7.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 116' ' ' HIS . 4.3 mm? -64.88 -58.92 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.53 -53.48 4.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -67.79 -42.6 81.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' ASP . 13.7 ttpp -44.27 -46.57 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' LYS . 20.2 t0 -37.91 -59.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.909 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -117.46 18.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -109.22 141.42 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -86.99 7.21 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.43 140.26 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.17 -61.56 2.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 152.44 44.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 40' ' ' LEU . 43.0 p90 -93.95 -48.75 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 72.5 t80 -95.27 114.14 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -132.85 105.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -141.8 126.17 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 141.24 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -162.26 174.94 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -120.36 141.25 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.31 141.34 29.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -140.38 123.98 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -111.76 153.5 26.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -85.67 114.91 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -134.22 122.51 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.32 40.31 11.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.09 42.65 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -159.46 160.17 34.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -91.8 125.13 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -114.88 163.5 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -92.85 116.7 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -81.67 -43.14 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.31 141.38 3.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -85.76 120.89 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.94 -159.21 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.5 m -125.16 149.84 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.07 141.19 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -133.09 142.41 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.595 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 53.9 mt -131.85 117.51 18.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' NZ ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -136.32 149.16 66.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.49 45.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -98.36 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.16 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 17.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 58.93 38.36 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -119.52 177.76 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.2 m -115.94 108.26 16.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -93.46 138.17 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 tp -97.44 130.36 44.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD21 ' NZ ' ' A' ' 41' ' ' LYS . 21.0 tp -140.27 142.17 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -129.21 127.13 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.8 132.3 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.3 171.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -91.81 -48.8 6.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 t -56.61 147.02 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -41.02 -46.89 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.77 104.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.62 132.4 32.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -157.18 140.56 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -81.85 117.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -85.75 -50.93 6.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -151.49 118.67 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -125.25 103.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.7 m -146.61 154.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 tp -95.61 144.73 25.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.94 111.88 9.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.749 . . . . 0.0 111.129 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.67 18.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.19 14.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -123.71 113.34 18.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 ttt -146.34 117.98 4.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.22 53.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 30.0 p -124.51 135.25 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 p -140.32 108.07 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' NH1' ' CB ' ' A' ' 112' ' ' ALA . 6.6 mmm180 -83.34 115.06 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -116.43 131.65 56.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.51 -150.03 41.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -118.02 -32.94 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' ND2' ' HE ' ' A' ' 105' ' ' ARG . 4.1 p-10 -117.99 18.0 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -127.43 147.47 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 ' CD ' ' A' ' 75' ' ' ARG . 47.4 t -141.39 118.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' A' ' 101' ' ' THR . 10.0 mt -91.03 128.55 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.9 pt -140.16 147.95 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.8 t -107.63 111.75 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 76.0 m -150.4 157.37 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.88 117.67 63.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.738 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 132.23 22.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 88' ' ' ASN . 2.3 t-20 -128.47 114.28 19.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.589 0.709 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.8 73.19 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.312 -0.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.34 53.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.1 mm -59.64 -44.21 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.75 165.51 27.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.28 -28.61 38.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -73.96 -48.0 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -100.66 17.4 21.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.07 89.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 84.8 m -63.97 -40.3 96.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.7 mtt -79.61 142.88 58.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 165.79 29.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.55 151.72 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.404 ' CG2' HD21 ' A' ' 82' ' ' LEU . 34.0 m -69.05 137.0 53.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.6 mtt -132.26 150.8 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 103' ' ' LEU . 1.9 tm? -131.85 118.1 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.6 mt -93.0 113.8 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HE ' ' ND2' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -100.59 112.23 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.94 164.22 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.98 -51.05 43.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.9 p -110.86 142.59 42.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.2 p -55.76 -46.7 77.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.75 -47.35 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.45 -48.5 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' CB ' ' NH1' ' A' ' 75' ' ' ARG . . . -52.56 -56.97 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -46.03 -47.76 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.64 -51.48 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -48.27 -50.05 31.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 36.5 t-80 -57.1 -55.23 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.8 -60.7 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.462 ' HA ' ' CD ' ' A' ' 121' ' ' GLU . 70.0 mt -48.86 -39.56 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.71 -33.99 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 120' ' ' LEU . 4.5 mm? -76.3 -47.68 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.462 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 9.8 pt-20 -64.24 -43.82 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -56.95 -45.24 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -71.69 -34.41 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.1 t70 -49.5 -50.43 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -136.84 128.38 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.43 151.39 22.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -145.23 136.03 24.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.62 176.25 7.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -40.52 -47.19 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -102.79 126.86 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 50.1 p90 -68.72 -46.04 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.562 ' CD2' HD13 ' A' ' 118' ' ' ILE . 47.8 t80 -98.58 119.02 36.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -132.08 106.22 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -137.42 135.82 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.72 139.86 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.2 p -164.91 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.9 168.57 9.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.65 133.93 44.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.97 151.69 48.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' CD2' HD11 ' A' ' 91' ' ' ILE . 4.6 p90 -134.19 151.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -87.69 111.82 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -132.2 125.54 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.67 43.69 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 59.29 39.16 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.74 167.39 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.89 123.53 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -118.42 153.16 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -91.37 -41.8 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.42 127.9 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.7 mt -74.8 140.38 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.56 -157.69 13.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.4 m -125.16 134.71 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 50' ' ' LEU . 3.4 tm? -86.1 136.92 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 88.7 m-70 -133.17 120.45 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.3 mt -104.03 134.57 47.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -147.05 134.51 10.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.678 . . . . 0.0 110.907 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.29 53.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.4 p -100.81 166.45 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.13 64.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -83.99 13.42 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.81 36.84 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -107.57 178.4 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 m -121.24 105.17 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -97.59 147.25 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 38' ' ' LEU . 6.5 tp -104.81 134.79 47.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -143.73 122.05 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' CG2' HD23 ' A' ' 38' ' ' LEU . 81.5 t -119.51 115.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -88.19 137.69 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.06 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.09 -47.03 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.3 t -54.66 156.86 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -41.96 -48.77 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 tp -58.29 114.8 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.64 47.43 2.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.76 126.42 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.18 121.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.98 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.66 117.83 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 64' ' ' ASN . 20.2 t-20 -125.39 107.49 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 m -143.92 152.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.5 tp -91.63 119.26 31.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.44 108.83 1.34 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.104 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 71' ' ' MET . 53.8 Cg_endo -69.79 164.68 33.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.6 18.09 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.439 ' O ' ' NZ ' ' A' ' 123' ' ' LYS . 10.7 ttp -52.09 107.13 0.76 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.588 0.709 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.12 12.93 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' ' NE2' ' A' ' 116' ' ' HIS . 6.4 t -115.8 136.99 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -134.62 107.46 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -74.93 115.39 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.5 t -114.63 151.71 33.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.3 -144.42 6.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -117.67 -32.57 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.523 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -118.0 5.58 12.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -103.9 152.12 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.7 t -141.92 114.56 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -97.92 142.22 29.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 pt -157.4 166.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -119.1 119.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.83 144.99 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.9 t -69.13 117.52 52.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.2 7.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -126.13 116.5 23.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.08 84.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.344 -0.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.52 42.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.45 HD11 ' CD2' ' A' ' 24' ' ' TYR . 35.3 mt -77.35 -41.27 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.26 153.29 24.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -100.05 -32.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 1.6 mmpt? -45.84 -38.24 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -157.53 103.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.67 -44.2 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -47.6 -27.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.5 ttt -89.26 129.8 46.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.81 20.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 m -130.94 155.8 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.3 m -70.6 138.58 50.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.6 mtp -128.6 149.21 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -127.16 121.56 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 57.5 mt -106.2 114.34 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -108.72 109.92 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 107' ' ' LYS . 14.1 p -92.73 161.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.449 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.9 tppt? -47.1 -65.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 78.5 p -111.57 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.7 p -56.13 -50.94 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.35 -40.17 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.64 -47.82 84.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.46 56.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -38.33 -57.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.8 -54.62 44.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.405 ' NE2' ' SG ' ' A' ' 73' ' ' CYS . 51.7 t-80 -52.61 -38.84 60.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -66.84 -57.53 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' A' ' 16' ' ' TYR . 55.1 mt -42.63 -45.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.47 -47.64 78.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.29 -65.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.456 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 13.0 pt-20 -41.73 -45.42 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -74.13 -42.78 59.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 71' ' ' MET . 19.4 ttmt -42.32 -58.48 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -52.46 -52.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.5 t -93.15 17.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -132.32 157.06 45.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -93.47 147.26 23.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.88 -7.04 56.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -38.39 -39.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.33 140.67 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.7 p90 -56.97 -41.94 79.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.527 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 39.3 t80 -111.18 111.33 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -132.13 118.99 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -154.38 129.37 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -61.48 138.46 58.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 19.7 p -160.06 163.0 34.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -93.45 175.06 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.17 126.37 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 40.4 m-85 -134.45 140.81 46.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 52.3 p90 -123.86 144.74 49.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -87.22 109.39 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -134.25 123.25 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 61.78 41.0 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m120 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -157.07 145.25 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -93.69 119.55 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 mmpt? -112.92 132.86 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -66.26 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -70.2 -42.67 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.51 124.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -62.95 133.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.96 179.66 38.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.438 HG21 ' CD2' ' A' ' 39' ' ' HIS . 24.1 m -103.21 128.84 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.3 tm? -85.33 139.48 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' CD2' HG21 ' A' ' 37' ' ' THR . 20.1 m-70 -139.25 130.03 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -106.3 121.07 43.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -119.47 128.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.03 55.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 p -109.24 162.7 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.51 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -88.01 12.64 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 62.28 32.76 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -108.21 176.05 5.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.9 m -118.54 111.12 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -97.4 121.01 38.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 tp -80.92 133.49 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.76 112.92 6.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.58 131.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -101.33 138.25 38.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 139.17 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.46 -38.96 82.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -58.59 149.32 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' LEU . 61.1 m-80 -53.28 -47.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mp -36.77 -42.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 124.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.445 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.05 153.41 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.2 119.09 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.74 -48.21 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.8 tp -151.02 113.65 4.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.56 106.39 10.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 m -148.9 157.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 tp -98.47 136.63 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.449 ' CD1' HD23 ' A' ' 119' ' ' LEU . 85.7 mt -64.48 111.93 6.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.09 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.31 3.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -113.23 114.49 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -153.61 123.95 3.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.52 136.12 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.6 p -142.54 111.18 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.9 mmm180 -96.24 120.29 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 t -117.37 166.72 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 43.96 -155.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -97.8 -41.04 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -117.47 17.03 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -100.62 131.39 46.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.99 110.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.68 132.04 41.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.2 pt -146.41 137.93 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.02 114.82 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -153.65 162.51 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 81.1 t -77.28 119.62 78.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.47 17.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -124.66 118.07 26.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.62 76.29 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.291 -0.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.82 13.79 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.63 -45.78 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -105.99 149.76 26.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.49 -44.61 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.07 -52.65 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.8 m120 -75.56 -3.19 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' ASN . . . -36.47 -65.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.9 p -50.1 -47.72 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.11 136.4 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.5 m -140.18 158.84 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.2 m -69.06 135.51 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.0 mtp -139.09 126.05 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 104' ' ' ILE . 10.3 tt -113.17 143.95 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.415 ' N ' HD22 ' A' ' 103' ' ' LEU . 83.8 mt -123.0 133.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -119.09 102.45 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.63 157.67 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -58.31 6.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.5 t -112.25 149.83 31.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.6 p -58.51 -50.05 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -43.78 -46.17 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -52.35 -44.2 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -44.88 -36.56 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' LEU . 8.6 mm-40 -76.76 -66.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 19.7 tp -35.01 -47.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.519 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.3 t-80 -65.37 -58.54 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -50.72 -63.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.8 mt -44.42 -43.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 67' ' ' ILE . 22.0 mt -61.52 -32.18 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.63 -35.07 30.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.69 -44.59 63.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -57.85 -47.42 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -34.54 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -57.42 -52.64 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.43 138.81 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -156.67 134.35 10.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.89 127.91 34.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ASP . 48.5 tt0 -141.13 131.28 24.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . 37.7 t0 -34.47 -57.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -97.74 123.18 41.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 16.3 p90 -64.29 -39.6 94.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -106.51 120.43 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.551 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 3.6 t -141.92 116.94 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 139.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -70.23 152.93 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -167.98 174.94 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -110.39 126.06 53.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.44 134.56 33.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -139.65 135.73 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 10.2 p90 -123.7 141.78 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -86.32 105.13 16.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -127.33 121.01 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.39 38.67 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 t30 62.47 42.01 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -154.14 146.42 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.85 112.21 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 7.3 mmpt? -110.91 148.59 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.15 119.3 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.02 -38.68 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.73 130.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.2 mt -74.72 152.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.01 -145.29 6.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -133.34 120.85 21.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -84.98 137.54 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 59.3 m-70 -131.45 142.07 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 12.5 mt -121.65 118.14 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 150.37 52.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 44' ' ' ALA . 14.2 t -121.94 177.32 5.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.96 -39.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.32 162.41 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -57.39 164.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -112.08 131.22 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.45 132.4 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.47 125.41 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' N ' HD21 ' A' ' 50' ' ' LEU . 19.7 tp -139.14 141.42 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 38' ' ' LEU . 92.7 t -129.32 121.71 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -85.73 155.62 20.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.6 147.42 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -24.1 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -71.14 143.81 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -44.1 -48.79 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.6 pp -62.61 126.51 27.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.05 105.8 1.52 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' CB ' HD11 ' A' ' 58' ' ' LEU . 1.7 t30 -126.7 123.47 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.03 -45.83 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -154.77 113.49 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -120.54 105.27 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 28.2 m -148.52 148.79 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 tp -90.87 136.78 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.78 113.95 17.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.03 17.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.12 24.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.34 111.07 13.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttp -139.79 121.44 9.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.529 0.68 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 136.7 33.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.2 p -118.73 132.2 56.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 p -134.45 107.97 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 tpt85 -80.47 113.41 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -112.06 159.83 18.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.92 -156.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 23.0 pttp -95.08 -48.75 5.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 20.4 p-10 -109.52 15.94 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -103.33 137.28 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.8 t -133.44 116.14 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -96.86 133.15 41.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.78 140.57 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 t -100.87 111.96 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -152.31 150.45 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.73 117.09 50.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 126.66 13.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 2.5 m120 -123.02 121.14 27.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.74 165.67 75.99 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.35 -0.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.63 45.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.13 -43.81 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -113.55 152.2 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.29 -12.82 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.63 -37.01 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -101.26 0.79 38.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -37.34 -63.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.0 p -49.64 -47.97 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.2 ttt -70.18 135.63 86.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.539 0.685 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.2 35.43 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.99 155.77 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.6 m -71.03 136.7 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 mtp -130.77 142.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -124.02 122.9 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 mt -107.4 118.19 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -104.1 114.01 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.43 165.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -50.98 -58.77 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 110' ' ' GLU . 1.8 t -129.77 144.55 51.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 112' ' ' ALA . 91.7 p -45.2 -55.21 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 108' ' ' THR . 4.6 pt-20 -38.53 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' SER . 3.7 t70 -73.92 -46.96 41.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLU . . . -57.25 -43.16 82.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -40.22 -25.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 3.9 tp10 -92.85 -55.75 3.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.5 tp -39.45 -28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' GLU . 44.9 t-80 -80.83 -69.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.0 ptmt -44.71 -48.85 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.3 mt -50.47 -58.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.45 -44.7 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.25 -36.82 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -70.85 -40.48 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -42.39 81.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -80.15 -41.45 25.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -58.58 -54.4 47.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 p -83.09 133.61 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 16.14 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 11' ' ' GLU . 1.5 tm-20 -146.36 108.75 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 4.9 pt-20 -141.65 138.85 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' GLU . 4.6 m-20 -34.44 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -67.29 151.01 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 33.8 p90 -97.49 -50.18 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -123.36 120.1 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -149.55 132.75 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -73.44 142.48 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 p -167.51 174.3 7.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -103.73 162.12 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -128.95 137.62 51.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -143.36 130.08 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 14.3 p90 -110.07 143.57 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -87.42 111.21 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -137.25 138.12 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.1 40.55 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 57.73 47.28 15.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -162.46 154.28 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -98.41 120.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 4.9 mmpt? -121.83 121.24 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.39 132.81 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -89.05 -41.79 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.18 122.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.72 135.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.01 -158.9 20.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.9 m -124.92 137.16 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 38' ' ' LEU . 2.3 tt -89.3 146.04 24.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 97.3 m-70 -135.89 114.13 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 11.6 mt -95.93 117.86 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -131.63 135.4 26.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' CB ' ' A' ' 47' ' ' LYS . 5.0 t -103.06 171.05 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.26 172.65 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 m120 61.19 31.97 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 51.21 45.18 28.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' CB ' ' CG2' ' A' ' 43' ' ' THR . 21.4 mmtt -121.46 172.21 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.6 m -126.2 125.19 42.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -95.6 125.91 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.56 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 1.2 tm? -95.34 116.4 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 50' ' ' LEU . 15.1 tp -123.61 145.44 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.39 122.62 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HG2' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -97.59 147.64 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 147.77 49.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.05 -46.3 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.6 p -52.52 162.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -47.19 -51.36 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -58.26 131.45 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.12 96.99 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 2.8 p-10 -119.08 130.5 55.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.82 112.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.43 -45.02 18.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.9 tp -157.7 112.37 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' C ' HG12 ' A' ' 65' ' ' VAL . 5.6 t30 -119.8 102.15 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG12 ' C ' ' A' ' 64' ' ' ASN . 8.4 m -149.8 162.86 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.34 166.88 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.6 mt -113.06 102.01 54.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.684 0.754 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.98 69.13 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.98 29.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -88.0 16.99 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -75.23 119.81 78.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.34 24.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 16.7 p -141.51 133.32 27.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -144.06 102.03 3.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' CD ' HG23 ' A' ' 81' ' ' VAL . 3.6 mmm180 -85.56 129.54 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 77' ' ' GLY . 5.9 t -125.52 146.92 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' ' HG1' ' A' ' 76' ' ' THR . . . 61.71 -142.72 48.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 78' ' ' LYS . 3.0 ttmp? -117.96 -36.57 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -115.76 13.56 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.462 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 10.9 m120 -115.3 149.25 38.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.494 ' CG1' ' HB ' ' A' ' 104' ' ' ILE . 11.9 p -152.63 122.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 101' ' ' THR . 16.3 mt -92.13 152.25 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 82' ' ' LEU . 2.4 pp -158.36 152.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.6 121.15 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.2 p -154.8 157.91 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.25 123.86 70.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.064 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.21 20.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -134.76 112.59 11.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.0 60.56 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.337 -0.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 55.2 mt -92.97 -40.92 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -114.08 117.52 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.0 tt0 -61.41 -45.08 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' GLU . 14.1 mmtp -34.29 -44.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -152.73 102.79 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -92.64 -60.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' ALA . 41.0 m -35.71 -42.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 ttt -65.2 131.63 95.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -136.46 153.93 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.461 ' CG2' HD23 ' A' ' 82' ' ' LEU . 95.3 m -71.47 132.72 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtt -132.79 126.87 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tt -106.63 138.67 42.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.494 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 45.5 mt -119.55 117.34 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.32 103.16 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.465 HG22 ' CA ' ' A' ' 112' ' ' ALA . 8.0 m -87.29 178.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.41 -67.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.413 ' HB ' ' CD ' ' A' ' 110' ' ' GLU . 81.8 p -82.98 151.84 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 p -66.16 -47.15 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 24.5 pm0 -54.65 -28.72 49.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 110' ' ' GLU . 6.5 m-20 -66.52 -54.83 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.465 ' CA ' HG22 ' A' ' 106' ' ' VAL . . . -48.9 -58.8 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.58 -42.35 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.96 -36.84 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 104' ' ' ILE . 31.6 tp -69.6 -57.86 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 73' ' ' CYS . 9.6 t-80 -51.0 -42.88 60.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -59.84 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.484 HG23 ' CD ' ' A' ' 122' ' ' LYS . 57.9 mt -38.79 -54.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.32 -53.65 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -47.82 -36.05 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.68 -57.26 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.484 ' CD ' HG23 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -50.65 -46.06 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 30.9 pttt -62.16 -43.3 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 28.2 m-20 -50.54 -48.99 57.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.878 0.371 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.86 160.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -110.18 169.49 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.71 107.1 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -135.69 168.97 18.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -45.53 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -86.36 128.66 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 37.3 p90 -75.36 -49.08 20.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 38.1 t80 -83.92 108.75 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -126.55 108.25 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -146.97 136.14 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 140.54 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 p -162.11 159.18 25.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -95.53 168.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.33 134.92 44.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 10.9 m-85 -140.88 153.89 45.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -134.19 153.17 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -89.44 114.03 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 126.26 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t0 59.59 38.82 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.55 41.81 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -156.13 161.14 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -107.78 116.46 31.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -106.82 153.85 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.37 116.41 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -75.38 -40.91 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.31 131.84 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.45 144.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.089 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.22 -154.72 11.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -126.41 143.82 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 1.2 tm? -101.2 139.86 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 20.0 m-70 -137.46 118.02 13.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.0 mt -93.03 106.61 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -107.22 121.79 43.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.42 24.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -128.15 170.13 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.93 62.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -86.37 18.01 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 62.87 35.41 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -121.07 176.68 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.409 ' OG1' ' CG ' ' A' ' 122' ' ' LYS . 90.9 m -130.28 132.1 45.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.06 128.1 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -83.97 125.53 32.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.2 tp -141.68 133.46 27.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.55 119.32 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -85.68 149.54 25.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.48 158.93 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -96.85 -42.44 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' ASN . 11.0 t -55.03 149.68 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' THR . 18.1 p-10 -35.01 -42.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.33 119.95 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.66 46.27 3.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -92.3 123.82 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.3 145.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.09 -47.06 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tp -153.18 112.66 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' CG ' HD11 ' A' ' 51' ' ' LEU . 44.5 t-20 -125.65 102.25 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.407 HG11 ' C ' ' A' ' 64' ' ' ASN . 32.9 m -143.47 150.09 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -91.86 128.23 37.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.48 113.61 6.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.129 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.11 37.28 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.43 104.94 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ttp -144.06 125.32 7.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 154.54 67.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 25.8 p -134.5 135.5 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.56 103.24 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -78.11 107.52 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.3 t -108.08 162.14 14.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.97 -159.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -96.45 -44.66 7.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.474 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 11.7 p-10 -118.0 16.39 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -100.56 135.19 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.77 106.33 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 tp -86.46 128.08 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.9 pt -143.91 144.84 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 t -105.0 120.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.5 162.7 41.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.0 t -80.03 122.56 83.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 118.6 5.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -122.63 115.23 29.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.37 74.35 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.313 -0.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.89 41.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.2 mt -77.55 -43.81 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.31 147.19 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.28 -40.58 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 95' ' ' ASN . 3.0 pttm -47.2 -30.53 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 25.7 m-80 -157.71 103.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.2 -58.72 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 m -43.08 -42.39 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpp -58.85 124.74 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 164.16 35.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.8 m -133.33 157.92 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.5 m -72.87 118.5 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 mmt -120.29 136.76 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 tt -117.84 138.93 51.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.22 131.23 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -117.59 145.87 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.3 m -122.49 162.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -61.18 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 t -101.83 159.63 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.5 t -66.92 -47.31 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.34 -30.2 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.02 -40.57 75.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.56 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.14 -44.86 88.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 35.2 tp10 -64.78 -63.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 7.0 tp -39.17 -41.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 5.6 t-160 -75.29 -39.09 60.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' GLU . 38.3 mtpt -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 4.7 mp -50.69 -63.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.597 ' CD1' ' C ' ' A' ' 119' ' ' LEU . 0.4 OUTLIER -55.82 -32.97 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.33 -27.22 64.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -86.84 -37.02 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.409 ' CG ' ' OG1' ' A' ' 48' ' ' THR . 28.8 mmtm -73.34 -44.08 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 14.2 pttp -50.11 -39.53 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 3.9 t70 -80.32 -45.36 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.938 0.399 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.421 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 35.9 m -128.99 159.01 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 2.3 mppt? -123.53 164.5 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.43 7.11 45.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -106.22 -8.92 17.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t70 52.41 33.99 14.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.33 139.31 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 6.3 p90 -98.02 -45.87 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -95.33 125.32 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.47 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 10.8 t -140.8 118.66 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -147.37 143.83 28.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.9 126.14 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.83 173.89 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -104.63 165.78 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.99 137.19 47.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -139.67 128.2 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -110.47 145.03 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 41.3 tttm -86.17 113.63 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -138.29 127.02 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.62 40.24 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 58.65 44.12 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -160.31 152.44 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -96.24 126.49 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 135.13 53.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.45 120.64 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -77.05 -40.61 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.93 135.65 2.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.96 123.48 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.45 -156.24 7.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 m -133.0 132.4 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -86.61 146.31 26.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 80.3 m-70 -142.37 118.54 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 18.1 mt -104.28 129.66 52.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 140.04 34.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 54.1 Cg_endo -69.74 134.05 27.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.7 p -89.06 159.51 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' LYS . 4.2 m-20 -102.59 -178.02 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 46' ' ' GLN . 16.0 tm0? -74.51 10.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 45' ' ' ASN . 32.2 mmtp -83.92 174.37 10.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 122' ' ' LYS . 18.8 m -131.26 130.02 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -101.52 152.87 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 51' ' ' LEU . 1.4 tm? -122.05 125.02 45.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 50' ' ' LEU . 8.3 tp -136.87 132.21 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.17 123.65 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -92.68 145.08 24.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.31 136.91 32.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -90.47 -51.88 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.6 t -55.14 -41.98 72.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.22 159.15 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.32 -45.47 72.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.37 42.98 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.17 130.5 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.84 146.44 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -98.01 -46.99 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.5 tp -154.86 116.56 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -126.49 101.98 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.1 m -140.36 162.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 tp -101.57 142.41 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.43 109.99 1.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.95 17.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.34 35.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.26 119.52 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.473 ' CE ' HG23 ' A' ' 83' ' ' ILE . 1.2 tmt? -141.19 102.04 6.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 27.8 p -102.83 135.06 45.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -143.19 102.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 3.7 mmm180 -86.5 122.05 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 t -128.44 121.08 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.95 -150.06 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -117.94 -37.98 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -117.43 18.05 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.19 136.99 49.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 HG23 ' CD ' ' A' ' 75' ' ' ARG . 7.8 p -140.23 123.72 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -88.62 139.87 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG23 ' CE ' ' A' ' 71' ' ' MET . 7.7 pt -148.33 134.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.03 119.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.11 163.35 39.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -84.0 118.53 71.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.73 9.41 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 3.2 t-20 -125.84 115.41 24.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.75 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 160.41 88.14 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 120.98 7.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.13 -45.55 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -118.91 151.46 38.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.81 -43.29 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -49.05 -43.39 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.81 13.84 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.76 -61.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 p -54.71 -43.4 72.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.1 ttt -72.89 139.47 80.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.61 33.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 m -129.84 160.78 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 62.6 m -69.91 135.01 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.48 147.14 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 105' ' ' ARG . 7.6 tt -129.62 141.74 50.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 15.3 mt -118.6 106.97 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 32.0 mtm180 -100.08 109.57 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG11 ' N ' ' A' ' 112' ' ' ALA . 9.2 p -95.23 168.87 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -57.83 -60.02 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -115.07 143.93 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 5.6 t -49.14 -56.16 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -38.79 -39.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -67.12 -39.73 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -55.08 -61.55 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -43.79 -41.98 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.02 -44.39 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 115' ' ' LEU . 0.3 OUTLIER -60.83 -59.85 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 73' ' ' CYS . 6.7 t-80 -54.87 -40.86 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -55.93 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' LEU . 97.6 mt -48.91 -56.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ILE . 14.0 mt -35.85 -55.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 79.1 mt -49.01 -45.56 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 118' ' ' ILE . 2.7 mm-40 -70.34 -37.88 74.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 48' ' ' THR . 28.9 mmtm -76.51 6.69 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 5.6 pttt -135.48 115.26 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 t70 65.1 34.06 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.23 120.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -108.64 17.45 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.16 14.58 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.75 135.99 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.7 -46.8 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.67 126.21 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -87.48 121.43 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.4 p -140.83 106.9 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -144.68 137.96 26.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -76.75 140.94 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.9 p -163.78 177.89 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -117.45 126.32 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.89 143.51 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -145.15 132.97 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 36.1 p90 -120.24 146.71 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -93.73 115.48 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 ptmt -140.98 140.76 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.01 36.08 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.91 47.99 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -162.17 156.17 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -97.76 113.42 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.8 mmmp? -109.3 152.58 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -86.38 122.64 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -78.95 -45.44 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.63 118.78 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.14 126.76 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.42 -134.72 1.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.4 m -131.79 131.45 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.58 ' CD2' ' CG2' ' A' ' 52' ' ' VAL . 1.9 tm? -82.48 138.06 34.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.436 ' N ' ' CD1' ' A' ' 38' ' ' LEU . 42.9 m-70 -134.63 161.94 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -146.9 107.57 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -127.53 143.21 46.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.65 38.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -98.68 169.88 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.97 -46.91 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.27 177.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.96 15.9 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -111.62 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.422 HG21 ' NZ ' ' A' ' 122' ' ' LYS . 93.0 m -107.49 140.27 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 50' ' ' LEU . 28.6 tt0 -105.14 149.83 25.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -116.07 123.85 48.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 50' ' ' LEU . 10.7 tp -138.15 119.71 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 38' ' ' LEU . 6.3 t -100.22 124.86 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -93.4 143.23 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 177.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -95.63 -43.53 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -54.01 147.91 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 58' ' ' LEU . 3.4 m120 -46.08 -59.15 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 57' ' ' ASN . 19.4 tp -33.83 -65.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.41 138.13 7.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -158.9 156.63 29.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.11 113.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 mt -89.63 -54.16 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -145.07 114.08 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -118.22 110.32 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.52 158.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.6 tp -103.7 140.72 37.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 122' ' ' LYS . 90.8 mt -68.57 111.63 8.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -28.04 25.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -133.62 116.06 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 ttp -139.87 128.97 13.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 145.89 58.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.0 p -127.94 124.26 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.65 110.13 11.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 3.1 mmm180 -89.33 118.65 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.8 t -120.14 159.9 23.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.59 -150.18 35.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -97.91 -55.06 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -116.56 17.77 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -96.17 133.04 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.6 t -123.98 123.32 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 83' ' ' ILE . 1.4 tt -105.52 136.59 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.476 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.6 pt -140.36 164.64 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.14 120.12 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.9 p -155.56 158.12 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.12 110.98 18.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.645 0.736 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 139.45 40.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -129.17 113.44 18.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.48 58.35 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.343 -0.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.52 -38.1 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.47 156.85 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -99.27 -37.2 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.63 -46.66 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.8 17.9 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.85 -62.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -45.57 -46.43 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.96 162.27 65.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 174.99 8.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.41 149.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.3 m -85.71 109.67 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 mtp -114.52 155.83 25.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 tt -142.32 129.78 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.8 mt -101.0 137.61 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.8 120.3 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' CG1' ' OD2' ' A' ' 111' ' ' ASP . 27.5 m -109.55 174.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -82.44 -53.99 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.0 t -105.69 146.9 29.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' GLU . 11.3 m -58.8 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' SER . 5.3 pt-20 -35.4 -39.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.458 ' OD2' ' CG1' ' A' ' 106' ' ' VAL . 27.7 t0 -57.15 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.22 -61.3 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 117' ' ' LYS . 25.8 t70 -38.21 -58.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 8.4 tp10 -59.81 -53.31 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.8 tp -46.75 -45.0 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 120' ' ' LEU . 42.4 t-80 -66.17 -47.36 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 19.6 mttp -59.8 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 89.7 mt -38.84 -64.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.1 mt -39.64 -57.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 116' ' ' HIS . 39.9 mt -52.12 -36.03 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' ILE . 45.0 mt-10 -72.32 -55.34 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 67' ' ' ILE . 3.0 mtmp? -48.54 -36.98 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 4.6 pttp -81.74 -32.07 31.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.6 t70 -52.65 -49.57 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 22.3 m -87.68 137.36 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -126.4 116.35 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.23 14.78 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -128.49 122.8 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.22 -45.39 4.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.49 112.11 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' CZ ' ' NZ ' ' A' ' 122' ' ' LYS . 29.5 p90 -61.85 -39.22 91.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -93.48 133.92 36.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.9 p -140.13 106.27 5.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 18' ' ' LYS . 4.5 tmmm? -133.23 127.94 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 2.9 mppt? -87.19 126.95 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 p -161.78 177.54 9.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -111.51 165.82 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 11.4 mt -120.37 140.29 51.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 32' ' ' GLU . 94.2 m-85 -137.57 134.35 35.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -117.77 149.34 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 29.3 tptt -91.92 113.64 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 26.8 tttp -142.23 146.05 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 50.05 40.0 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 56.87 47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.51 152.05 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 22.2 m-85 -92.84 118.36 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -116.43 150.71 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 26.5 tp10 -80.93 130.25 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -83.17 -43.76 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.83 130.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.31 139.25 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.64 -148.39 6.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 38' ' ' LEU . 13.6 m -133.38 145.54 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.338 . . . . 0.0 111.193 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -93.73 136.59 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' N ' HD13 ' A' ' 38' ' ' LEU . 66.6 m-70 -133.73 149.2 51.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 48' ' ' THR . 70.2 mt -129.73 115.46 17.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.18 121.59 38.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.17 68.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.2 p -112.75 178.53 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.82 -26.47 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -81.4 17.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 56.89 35.18 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -110.93 178.34 4.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.468 ' CG2' HD22 ' A' ' 40' ' ' LEU . 46.6 m -130.38 122.92 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -99.04 131.14 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.73 115.73 24.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.5 tp -132.44 136.56 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.08 117.01 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -85.58 155.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 155.41 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -68.01 -32.97 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.1 t -55.51 172.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.03 170.25 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' GLY . 10.7 tp 62.64 32.14 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . 28.96 59.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -55.96 137.44 50.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.9 mt -86.31 129.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.4 mt -105.58 -37.95 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.6 tp -154.35 116.48 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -128.4 104.96 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.92 148.17 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.86 147.12 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 123' ' ' LYS . 69.2 mt -65.88 112.43 8.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.138 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.88 17.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.295 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.92 5.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -122.51 123.48 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttp -154.84 122.36 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.1 p -112.67 132.76 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -139.3 103.44 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.2 mmm180 -80.87 112.05 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.9 t -108.15 152.39 24.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.52 -151.81 17.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -110.12 -35.44 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -117.94 18.07 14.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -113.09 144.06 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -137.46 111.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.436 ' CD1' HD23 ' A' ' 103' ' ' LEU . 10.4 tp -94.13 128.34 40.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.8 pt -144.66 138.21 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 113.42 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.74 153.19 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.1 t -75.69 118.37 70.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 126.31 13.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -125.93 116.37 24.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 164.18 80.0 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.351 -0.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.28 20.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.31 -43.57 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.91 147.33 27.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.76 -42.53 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -39.56 -42.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -153.51 102.06 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 -42.47 8.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 HG21 ' N ' ' A' ' 98' ' ' MET . 7.7 t -45.06 -34.52 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.471 ' N ' HG21 ' A' ' 97' ' ' THR . 17.0 ttt -83.19 130.26 57.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.87 44.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.3 m -122.66 158.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.5 m -71.78 135.58 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.1 mmt -132.89 137.06 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -114.61 127.46 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 103' ' ' LEU . 21.5 mt -111.59 114.43 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -108.08 113.93 27.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.95 162.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -60.45 -48.88 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 127.95 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -46.22 -52.44 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.2 pt-20 -39.71 -38.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 7.4 t0 -63.68 -50.96 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.69 -53.61 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -42.13 -58.54 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -53.75 -50.82 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.4 ' CD2' ' HZ2' ' A' ' 18' ' ' LYS . 7.6 tp -51.02 -46.24 61.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 18.1 t-80 -66.42 -49.86 65.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -54.93 -57.54 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 119' ' ' LEU . 83.5 mt -53.47 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 118' ' ' ILE . 16.0 mt -32.92 -41.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.14 -60.24 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -39.4 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.465 ' NZ ' ' CZ ' ' A' ' 15' ' ' PHE . 9.4 mmpt? -53.42 -43.69 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 45.4 mttp -44.27 -51.77 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -78.71 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.3 m 37.71 32.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' GLU . 45.2 mttt -86.31 17.94 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.75 15.22 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -124.64 172.77 8.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.76 -43.41 65.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.07 121.48 15.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 35.5 p90 -71.63 -46.99 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -97.03 105.78 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -121.15 118.29 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 127.57 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.91 135.92 53.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -162.82 169.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' CG ' HG12 ' A' ' 35' ' ' ILE . 4.6 mtmp? -109.09 160.47 16.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.47 134.38 55.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.89 148.96 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.55 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 5.6 p90 -130.66 153.95 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -92.21 114.78 27.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mtmt -142.27 126.75 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 60.14 38.34 20.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 61.47 42.76 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -157.98 149.3 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -102.02 116.02 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.55 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 22.9 mmtm -105.51 157.59 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -89.58 113.67 25.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -66.11 -42.65 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.71 140.22 2.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 HG12 ' CG ' ' A' ' 21' ' ' LYS . 43.0 mt -77.85 128.49 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.61 -153.79 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 38' ' ' LEU . 21.6 m -130.95 141.96 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 1.8 tm? -93.97 134.43 36.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.496 ' N ' HD12 ' A' ' 38' ' ' LEU . 96.1 m-70 -134.84 113.33 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 mt -95.8 114.45 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -115.02 134.45 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.22 17.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' ASN . 17.6 p -87.27 157.1 19.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.01 -34.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' C ' ' H ' ' A' ' 47' ' ' LYS . 24.5 m120 -92.91 -178.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.05 12.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 45' ' ' ASN . 7.9 mmpt? -88.45 178.5 6.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 67' ' ' ILE . 20.6 m -129.73 128.92 43.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 50.4 tt0 -90.54 140.91 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.76 110.68 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.1 tp -129.66 136.18 49.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -131.71 115.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -86.36 143.99 27.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.56 151.64 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -84.81 102.25 12.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 p -153.19 171.62 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -51.53 -48.5 62.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.11 -66.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.52 108.49 1.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -110.58 166.52 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.748 0.309 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -90.6 124.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.58 -51.76 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.53 125.13 9.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -130.08 107.11 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -150.59 165.34 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 tp -96.27 139.73 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.462 HD11 ' CG2' ' A' ' 48' ' ' THR . 47.5 mt -73.43 118.17 66.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 170.15 17.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.329 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -37.36 9.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -129.38 114.56 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 ttp -133.24 133.58 23.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.557 0.694 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.94 16.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 137.78 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.41 138.83 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' CZ ' ' HB1' ' A' ' 112' ' ' ALA . 4.4 tpt85 -101.01 136.81 40.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -150.32 167.47 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.71 178.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -54.95 -48.25 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -147.63 102.03 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -150.75 165.47 33.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.0 t -148.44 101.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' C ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -91.25 129.85 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 82' ' ' LEU . 25.5 pt -151.28 145.12 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.69 122.16 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -155.48 161.7 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.2 t -76.65 115.21 45.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.387 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.412 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 47.1 m-20 -124.62 118.32 26.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 54.6 Cg_endo -69.71 166.01 75.02 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.384 -0.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.19 4.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.0 mt -57.37 -44.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.95 162.63 12.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.19 -37.41 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -40.8 -44.9 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.81 102.89 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.6 -43.09 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 t -52.06 -28.75 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.5 mtp -86.53 132.11 43.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 165.72 30.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.4 m -127.25 158.59 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -71.9 115.5 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.6 mtp -114.41 150.18 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 104' ' ' ILE . 5.7 tt -144.71 142.67 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.446 ' N ' HD22 ' A' ' 103' ' ' LEU . 23.7 mt -120.01 143.57 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.432 ' N ' HG21 ' A' ' 104' ' ' ILE . 3.6 tmt_? -118.76 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 31.6 m -100.76 179.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -82.62 -57.19 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -107.65 146.75 31.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.9 p -51.19 -54.73 22.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -43.06 -32.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -62.07 -52.11 65.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 75' ' ' ARG . . . -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.06 -46.36 78.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.33 -64.0 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.1 tp -53.85 -41.12 67.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -54.94 -44.01 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -73.81 -54.46 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.2 mt -46.95 -46.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.45 -42.95 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.98 -31.24 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -80.03 -34.72 38.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.52 -48.85 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 27.4 pttt -47.51 -36.24 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -84.59 -44.28 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.3 133.44 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -90.25 130.92 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -77.97 1.9 19.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.39 169.49 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -86.24 -42.82 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -70.16 118.69 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p90 -79.74 -40.64 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 64.3 t80 -98.45 128.37 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.9 p -138.96 118.66 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 136.84 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -79.12 142.48 36.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -165.88 168.44 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HD3' ' CD ' ' A' ' 32' ' ' GLU . 1.8 ttmp? -102.92 138.33 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.47 146.43 27.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 82.1 m-85 -146.65 129.18 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -110.29 149.64 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -90.03 112.52 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -136.92 131.7 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 57.97 39.04 26.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 t30 61.18 42.81 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -156.58 154.53 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.4 m-85 -96.97 111.05 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -104.92 151.96 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 11.7 tt0 -81.0 125.63 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -81.8 -43.09 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.9 136.98 2.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.39 140.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.18 -154.46 12.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.9 m -131.59 139.06 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.582 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 1.6 tm? -92.8 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' N ' HD11 ' A' ' 38' ' ' LEU . 92.9 m-70 -133.87 127.47 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -107.4 108.2 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.7 132.36 21.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 132.41 23.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 p -86.66 162.67 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -97.69 179.2 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.59 -3.21 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -68.77 173.88 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.3 m -131.01 128.61 40.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -91.27 147.54 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -122.9 117.09 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 64' ' ' ASN . 22.3 tp -135.26 152.84 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' CG2' HD23 ' A' ' 38' ' ' LEU . 92.2 t -137.71 126.96 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -93.21 126.94 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . . . -81.55 159.46 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.09 104.66 14.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.2 p -152.45 175.88 12.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -48.33 -61.44 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 tp -93.8 -55.12 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.76 152.26 7.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -156.37 152.25 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -78.94 120.2 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 21.0 mt -83.16 -55.92 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' A' ' 88' ' ' ASN . 42.4 tp -149.1 133.46 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' CG ' HD11 ' A' ' 51' ' ' LEU . 40.5 t-20 -143.61 104.58 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.73 175.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -110.17 133.89 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.87 117.38 35.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.18 24.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -126.84 106.32 9.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -132.23 127.46 20.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.77 127.17 14.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.9 p -113.09 122.78 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.91 147.3 32.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -117.9 148.16 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 t -150.54 166.71 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.07 -176.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -59.06 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -139.43 101.99 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -150.22 169.89 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.0 t -149.09 107.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 101' ' ' THR . 4.6 tp -96.68 128.35 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 pt -150.68 134.77 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' HB ' ' CG ' ' A' ' 72' ' ' PRO . 97.8 t -96.89 118.34 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.94 162.68 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.3 t -77.68 118.35 71.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.405 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 13.9 t-20 -128.79 117.76 19.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.76 167.41 71.12 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.63 68.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.97 -41.51 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.83 168.19 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -97.19 -33.27 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -82.26 -54.02 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.46 12.93 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.75 -63.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.7 p -52.0 -45.44 64.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.406 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 24.4 ttm -69.27 138.47 89.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.523 0.678 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 53.9 Cg_endo -69.71 162.93 40.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.61 160.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.482 ' CG2' HD12 ' A' ' 82' ' ' LEU . 99.6 m -75.81 131.86 40.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 mtp -126.18 124.06 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -113.34 118.45 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.57 129.02 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -106.35 122.94 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 29.5 m -110.4 178.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -78.36 -68.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.85 155.2 18.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ASP . 32.6 t -63.32 -49.37 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 34.3 t0 -75.87 -49.98 16.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.46 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' NH2' ' A' ' 75' ' ' ARG . 30.3 t70 -64.42 -54.5 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -66.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.4 tp -47.28 -62.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.461 ' CE1' HD23 ' A' ' 120' ' ' LEU . 3.7 t-80 -47.01 -46.7 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -60.77 -40.23 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -50.59 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.5 -36.63 84.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.461 HD23 ' CE1' ' A' ' 116' ' ' HIS . 1.9 tp -70.48 -49.68 45.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.96 -50.87 53.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 2.6 pttp -67.51 -29.78 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 26.4 t0 -63.38 -56.29 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.59 136.04 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.0 153.93 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 67.99 44.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -116.55 163.33 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -60.82 -48.0 83.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.2 140.46 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.7 p90 -85.42 -44.39 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 90.4 t80 -98.72 123.03 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -138.98 110.62 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -140.99 137.34 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -76.64 138.35 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.3 p -168.07 177.89 5.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 1.1 ttmp? -124.69 134.24 52.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 104' ' ' ILE . 10.3 mt -83.46 160.34 21.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 78.4 m-85 -154.04 130.1 10.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 22.2 p90 -124.0 147.92 47.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -85.5 115.87 23.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -139.01 120.26 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 63.9 39.4 8.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.5 m120 61.93 37.27 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -150.1 152.71 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -93.26 112.86 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 9.4 mmmt -113.92 111.46 21.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 4.1 pt-20 -61.14 116.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -53.1 -33.66 53.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.85 166.96 14.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 36' ' ' GLY . 50.8 mt -86.16 138.02 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 35' ' ' ILE . . . -177.83 -165.74 33.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.572 HG21 ' CE1' ' A' ' 39' ' ' HIS . 19.7 m -126.45 141.07 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 2.5 tm? -90.36 137.83 32.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.572 ' CE1' HG21 ' A' ' 37' ' ' THR . 31.6 m-70 -140.03 129.23 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -113.09 133.03 55.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.51 143.12 22.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 0.0 110.937 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.07 68.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 p -108.7 172.0 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.61 71.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -80.58 14.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 62.21 34.78 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -112.37 175.39 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -113.25 107.84 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.68 145.76 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 tt -103.32 143.14 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 tp -146.72 134.72 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 38' ' ' LEU . 79.2 t -128.6 116.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -95.43 146.39 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.39 150.93 44.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -75.16 -45.15 42.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -61.34 167.99 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' LEU . 2.0 p30 -44.29 -57.68 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' ASN . 30.7 mt -34.09 -44.8 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.64 42.56 7.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -80.89 152.97 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.17 121.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.77 -43.52 13.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 tp -154.07 117.91 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -128.84 112.09 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -152.56 166.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.0 tp -100.72 151.92 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.7 mt -81.62 112.67 36.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.47 18.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.337 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -32.51 18.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -123.62 106.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.4 ttp -133.54 118.54 14.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 135.1 29.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 29.7 p -115.67 137.23 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.3 p -140.41 102.61 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -76.34 114.66 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 154.78 32.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.48 -160.62 17.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.43 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -96.31 -46.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.471 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 51.8 p-10 -117.8 17.96 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -101.99 148.2 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -136.09 108.95 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 101' ' ' THR . 9.0 mt -91.48 129.34 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 pt -141.6 153.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.61 115.56 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.36 153.37 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.76 120.33 79.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.54 17.77 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 2.5 m-80 -131.57 116.01 16.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.78 75.83 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.345 -0.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 149.38 66.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.4 mt -97.57 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.09 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.53 -37.98 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -66.13 -27.47 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 25.2 m-80 -154.5 102.08 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.76 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.5 m -49.74 -40.34 40.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.1 mmm -76.76 136.58 66.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.82 55.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.99 160.41 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.469 ' CG2' HD22 ' A' ' 82' ' ' LEU . 56.8 m -69.14 133.11 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.2 mtp -132.34 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 tt -132.0 150.05 52.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.487 ' CD1' HD21 ' A' ' 22' ' ' LEU . 18.9 mm -131.87 126.31 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -115.75 101.99 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 112' ' ' ALA . 10.4 p -82.92 164.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.414 ' N ' HG21 ' A' ' 106' ' ' VAL . 8.2 tmtt? -44.49 -68.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 8.8 t -114.24 134.25 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 87.7 p -41.0 -54.45 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.6 pt-20 -38.03 -38.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 14.0 m-20 -69.22 -43.71 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.472 ' N ' HG13 ' A' ' 106' ' ' VAL . . . -47.76 -52.22 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -46.9 -49.23 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.12 -44.67 96.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.17 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 9.1 t-80 -55.28 -50.71 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -40.73 -58.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.54 -66.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.426 ' CD1' ' H ' ' A' ' 119' ' ' LEU . 7.1 mp -40.95 -56.27 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.461 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.1 mm? -47.62 -37.91 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -76.74 -52.65 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -50.76 -48.32 59.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 9.6 pttp -61.1 -44.07 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 83.6 m-20 -48.68 -48.16 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 10' ' ' LYS . 9.4 p -89.48 151.41 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' CG ' HG21 ' A' ' 9' ' ' VAL . 17.7 mttt 52.0 48.03 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.86 155.46 38.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.03 134.73 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -52.01 -50.43 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.58 141.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 32.3 p90 -81.42 -42.01 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -108.57 108.23 19.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -130.54 110.43 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -145.08 140.29 27.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -70.78 139.61 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -166.25 166.34 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' HG2' ' CD1' ' A' ' 35' ' ' ILE . 41.7 mttt -98.23 168.82 10.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.6 mt -137.01 131.31 32.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 50.2 m-85 -132.53 144.8 50.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 46.4 p90 -126.74 147.82 49.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -86.56 115.12 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -137.79 125.31 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 54.91 39.54 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 62.82 45.46 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -155.38 155.08 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -105.21 111.54 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 11.6 mmmm -108.04 124.82 50.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 36.6 tt0 -60.85 106.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.32 -47.63 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.37 135.54 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 mm -64.99 143.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.78 -160.54 29.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 m -129.11 144.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -100.75 137.91 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -134.38 121.22 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 25.4 mt -96.94 117.74 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -144.42 142.29 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.45 63.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLN . 12.9 t -112.01 159.87 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 12.8 m120 -82.24 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' CG ' ' O ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 49.56 32.02 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -125.97 163.93 21.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -80.96 113.09 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -101.22 121.27 41.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.3 tp -85.76 134.86 33.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -142.58 120.51 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 87.3 t -114.98 115.53 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' NH1' ' HA3' ' A' ' 59' ' ' GLY . 40.2 ttm-85 -99.31 131.77 45.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 142.82 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -96.31 -60.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -55.52 -41.71 73.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.21 172.62 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.36 156.24 36.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -46.66 105.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 19.5 p30 -139.48 175.4 9.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 116.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -91.98 -50.56 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -153.59 112.59 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -121.74 111.96 17.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.2 m -151.63 171.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.63 145.62 40.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -81.3 111.43 24.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.252 . . . . 0.0 112.33 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.46 32.01 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -126.53 102.99 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttp -145.87 121.01 5.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.12 34.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 55.8 m -117.25 134.15 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.8 104.6 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' CD ' HG22 ' A' ' 81' ' ' VAL . 2.4 mmm180 -85.58 114.96 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 t -107.18 155.17 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.05 -146.73 9.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.503 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -114.69 -31.84 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -117.98 14.82 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.42 148.13 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.8 t -138.78 118.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.4 tp -103.51 139.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.2 pt -155.63 151.0 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.62 120.48 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 p -155.55 156.75 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.39 116.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.83 19.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.415 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 5.8 m-20 -123.11 116.04 28.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.81 78.35 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.346 -0.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.88 46.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.0 mm -53.84 -45.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -142.83 166.48 24.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -76.04 -40.58 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -60.73 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.78 13.1 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.18 38.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 78.6 p -63.18 -42.28 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 28.5 mtp -76.59 134.38 69.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.45 157.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.3 m -71.82 114.88 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.3 mmt -115.44 130.87 57.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 104' ' ' ILE . 2.9 tt -115.78 146.74 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.467 ' N ' HD21 ' A' ' 103' ' ' LEU . 4.7 mp -120.99 122.92 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -110.37 109.14 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.27 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.11 -50.03 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.0 p -113.5 132.15 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -48.16 -52.44 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.94 -38.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -60.71 -57.88 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.28 -42.26 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.13 -48.5 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LYS . 6.2 tp10 -62.85 -61.18 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 27.5 tp -37.65 -48.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.541 ' CE1' HD22 ' A' ' 120' ' ' LEU . 11.0 t-80 -57.53 -43.54 84.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' GLU . 32.9 mmtt -52.17 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 121' ' ' GLU . 4.6 mp -54.81 -60.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -39.29 -42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' A' ' 116' ' ' HIS . 4.4 mm? -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 118' ' ' ILE . 40.6 mt-10 -77.94 -30.5 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -78.83 11.79 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.547 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 2.8 pttp -137.65 113.37 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t0 62.06 34.44 16.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 21.2 p90 -78.62 -42.22 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -110.08 106.81 16.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -129.51 117.82 21.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' C ' HG23 ' A' ' 37' ' ' THR . 31.7 tptt -150.78 145.19 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -74.84 141.64 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 p -164.23 171.52 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 27.1 mttp -117.91 134.93 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.32 147.67 22.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 67.2 m-85 -153.12 123.27 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 8.2 p90 -104.14 154.47 19.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -92.56 118.2 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 91' ' ' ILE . 8.6 mtpm? -140.55 115.83 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.2 t70 66.59 43.95 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 58.55 41.19 22.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.34 160.78 41.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.26 127.0 54.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mmtt -118.36 131.68 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 14.6 tt0 -65.19 110.95 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -67.94 -43.92 77.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.87 127.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 mt -64.5 132.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . -170.76 -171.12 35.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 18' ' ' LYS . 31.2 m -121.45 135.89 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 38' ' ' LEU . 1.2 tt -82.67 138.71 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -130.47 107.73 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mt -96.51 119.13 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.99 150.86 50.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 147.82 64.18 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 47' ' ' LYS . 14.7 t -112.58 171.33 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.82 -44.34 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -81.73 178.04 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.57 7.22 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 43' ' ' THR . 28.4 mmtp -94.81 168.45 10.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.696 ' HB ' HD12 ' A' ' 67' ' ' ILE . 32.9 m -104.18 133.67 48.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HA ' HD23 ' A' ' 66' ' ' LEU . 4.4 tt0 -95.64 129.49 42.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.5 tm? -99.37 124.69 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.3 tp -136.32 146.95 47.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.8 t -137.43 116.89 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -92.67 142.39 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.98 134.07 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 13.3 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -71.29 120.05 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.33 -50.15 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 88' ' ' ASN . 14.3 tp -149.75 118.37 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -127.64 103.77 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.672 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.7 m -140.55 175.35 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 49' ' ' GLN . 12.5 mt -113.73 122.24 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' A' ' 48' ' ' THR . 83.5 mt -54.08 108.72 1.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 168.49 21.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.31 11.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -113.8 106.96 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -144.44 118.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.51 0.671 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.14 67.97 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.403 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 28.0 p -120.33 140.64 50.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -142.59 106.02 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 2.2 mmm180 -93.51 112.69 24.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 80' ' ' ASN . 3.8 t -108.13 157.15 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.04 -145.71 20.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 2.5 ptpp? -115.85 -35.43 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 17.5 p-10 -117.96 16.53 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 76' ' ' THR . 29.3 m120 -110.2 151.21 27.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG22 ' CD ' ' A' ' 75' ' ' ARG . 45.6 t -145.55 135.49 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 102' ' ' MET . 3.6 mt -121.51 146.3 47.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 pt -153.18 145.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.72 117.19 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.4 p -154.73 160.99 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.672 ' O ' HG11 ' A' ' 65' ' ' VAL . 87.4 t -80.22 116.28 60.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.544 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 m-20 -127.68 117.2 21.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.76 155.62 93.16 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.87 31.62 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.554 HG21 ' HD2' ' A' ' 26' ' ' LYS . 15.7 mt -76.08 -43.59 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -94.51 146.0 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -88.63 -37.01 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -79.46 -44.75 20.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.15 7.8 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.7 -64.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.5 p -50.41 -47.17 56.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 136.36 83.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.77 26.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.57 157.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.609 ' CG2' HD22 ' A' ' 82' ' ' LEU . 55.6 m -73.31 127.15 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.634 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.0 mmt -125.17 138.0 54.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 tt -121.35 135.74 55.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.26 116.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -101.28 113.42 26.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.22 177.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -83.37 -47.09 11.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.0 124.33 51.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -45.88 -21.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.72 -44.44 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -59.05 -40.04 83.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.82 -62.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -45.89 -55.84 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HG3' HD11 ' A' ' 118' ' ' ILE . 3.5 tp10 -52.82 -48.58 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.24 -45.48 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.478 ' HA ' HD12 ' A' ' 119' ' ' LEU . 31.3 t-80 -66.77 -46.0 76.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -56.43 -58.51 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 114' ' ' GLU . 31.8 mt -45.19 -55.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 116' ' ' HIS . 36.9 mt -43.93 -55.82 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 116' ' ' HIS . 19.3 mt -47.28 -46.14 24.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.86 -44.51 80.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -57.22 -46.12 83.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -71.51 -23.82 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.06 -52.51 65.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 40.4 p90 -58.4 -46.65 86.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -102.11 126.13 48.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -140.72 110.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -142.59 128.21 19.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 140.56 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -165.89 172.7 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -105.9 157.94 17.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -120.86 137.24 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 70.8 m-85 -140.99 150.33 42.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 4.9 p90 -135.0 158.71 43.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -88.27 111.54 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -141.47 123.07 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 60.86 39.0 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 58.51 45.47 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -159.14 153.89 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -98.65 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 28.7 mmtp -101.0 142.33 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 12.7 tt0 -78.38 114.99 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.57 -42.94 86.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.37 125.86 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 36' ' ' GLY . 11.6 mt -65.3 153.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.47 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . 173.3 -157.27 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.8 m -126.05 134.94 51.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.0 tm? -87.83 137.99 31.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.828 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.4 m-70 -137.12 113.05 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HD12 ' A' ' 50' ' ' LEU . 10.8 mt -92.41 120.01 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -128.62 137.96 32.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.97 62.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.407 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 47' ' ' LYS . 10.7 t -110.5 162.31 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.09 -46.32 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -74.67 177.65 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -79.53 9.82 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 43' ' ' THR . 72.5 mmtt -95.87 172.96 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.467 HG21 HD22 ' A' ' 40' ' ' LEU . 92.9 m -112.85 140.27 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.59 113.59 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 40' ' ' LEU . 4.5 tp -85.73 136.9 33.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.5 tp -140.65 128.95 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.575 HG22 HD23 ' A' ' 38' ' ' LEU . 79.7 t -119.73 111.92 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HD3' ' NE2' ' A' ' 39' ' ' HIS . 8.5 ptm180 -93.05 142.2 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.19 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 5.8 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 12.2 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -92.68 112.94 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.46 -44.54 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 tp -157.75 119.08 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -125.42 120.88 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -152.75 163.72 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 48' ' ' THR . 14.7 mt -109.26 122.49 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.59 112.97 5.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.94 17.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -27.25 26.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -129.14 106.87 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttp -137.45 131.25 17.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.429 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.6 p -128.33 129.55 46.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.13 119.37 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 1.9 mmm180 -96.8 110.94 23.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.441 HG23 ' CB ' ' A' ' 80' ' ' ASN . 10.7 t -108.53 166.58 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.25 -153.8 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -97.25 -50.14 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' CB ' HG23 ' A' ' 76' ' ' THR . 72.3 m-20 -95.33 143.48 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -134.99 122.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 HD12 ' A' ' 103' ' ' LEU . 10.3 tp -103.34 136.96 42.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.0 pt -146.11 146.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 99' ' ' PRO . 7.4 t -110.88 116.7 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.5 m -153.05 154.22 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.6 111.57 20.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.477 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.79 134.9 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.45 114.75 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 170.0 60.3 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.335 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.23 -37.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -134.52 145.36 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 15.3 pt-20 -84.49 -23.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -47.8 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.25 17.55 23.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -48.38 -67.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 96' ' ' ALA . 38.6 p -36.92 -48.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.7 160.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.4 Cg_endo -69.74 164.83 33.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.1 p -110.59 151.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -89.67 110.33 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.408 ' HG3' HG13 ' A' ' 100' ' ' VAL . 10.3 mtp -116.22 150.88 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 82' ' ' LEU . 4.5 tt -128.05 132.57 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.3 mt -101.09 143.74 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -132.08 117.13 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.86 177.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -71.15 -65.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 3.2 t -113.86 144.48 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 112' ' ' ALA . 9.4 t -45.1 -51.91 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 4.8 pt-20 -41.18 -32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 79.7 m-20 -71.22 -44.43 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -57.26 -51.52 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -46.92 -60.54 2.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.3 -43.48 61.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' HIS . 29.3 tp -58.92 -67.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 8.1 t-80 -36.5 -58.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' HIS . 28.9 tttp -37.02 -66.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.4 mt -37.09 -59.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.684 ' H ' HD12 ' A' ' 119' ' ' LEU . 6.8 mp -43.93 -38.62 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 123' ' ' LYS . 4.0 mm? -76.38 -40.96 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.29 -23.92 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -93.6 -46.22 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -59.44 -28.58 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.59 -49.47 68.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 17.0 p90 -56.21 -49.25 74.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -98.7 118.7 36.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -133.49 109.19 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.34 136.8 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.73 139.1 43.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -163.64 166.22 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 11.6 mtmm -113.65 136.55 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.85 146.54 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 83.9 m-85 -152.28 126.88 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 28.9 p90 -107.0 160.09 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -92.58 115.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -135.93 121.67 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.36 40.55 24.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.42 41.35 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -152.8 161.64 42.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -101.4 112.12 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 4.2 mmpt? -105.01 134.48 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 6.3 tt0 -62.83 130.4 44.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -94.6 -43.45 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.62 121.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.77 133.9 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.4 -152.12 8.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -131.15 149.38 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -96.44 142.79 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 59.2 m-70 -142.95 126.63 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.1 mt -103.48 128.43 50.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -121.26 135.75 25.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.96 18.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 24.6 p -92.22 153.0 19.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -32.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' THR . 7.8 m-20 -94.46 -179.32 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -73.15 6.07 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.676 ' HD2' HD21 ' A' ' 66' ' ' LEU . 51.6 mttt -83.01 173.25 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.874 ' O ' HD12 ' A' ' 66' ' ' LEU . 70.1 m -131.36 121.8 25.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 tt0 -91.11 153.46 20.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.5 tt -121.48 141.69 50.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 tp -143.27 143.52 31.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.67 123.2 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -97.6 127.47 43.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 177.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.17 121.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.3 mt -93.0 -50.56 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -146.62 125.27 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -133.68 102.29 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 86' ' ' VAL . 15.6 m -139.15 150.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 48' ' ' THR . 29.3 tp -95.48 133.94 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 ' HB ' ' A' ' 48' ' ' THR . 61.5 mt -61.82 110.94 3.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 170.08 17.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.87 31.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -146.5 123.02 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 ttp -152.23 119.58 3.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 133.16 24.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.55 134.5 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -140.38 122.89 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -91.82 131.25 37.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.1 t -140.62 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.86 -165.91 6.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -83.69 -55.81 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 26.6 p30 -117.86 17.92 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.596 ' HB3' HD11 ' A' ' 103' ' ' LEU . 11.0 m-20 -93.19 153.73 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.2 t -141.93 124.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 102' ' ' MET . 9.2 mt -100.39 124.77 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 pt -138.1 140.21 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.5 116.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.44 158.2 38.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.697 ' O ' HG11 ' A' ' 65' ' ' VAL . 86.0 t -77.17 121.3 84.39 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.81 41.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -144.2 113.37 5.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 170.09 60.24 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.321 -0.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.91 55.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.4 mt -87.88 -43.38 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.95 161.23 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -102.99 -37.44 7.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -37.78 -43.76 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -154.91 102.65 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.04 -51.61 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -40.57 -40.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtp -80.09 140.34 53.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 172.36 12.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.12 156.24 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.455 ' CG2' HD22 ' A' ' 82' ' ' LEU . 69.3 m -69.52 135.64 50.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.596 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.3 mmt -127.99 149.48 50.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 80' ' ' ASN . 1.2 tm? -130.99 118.7 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 103' ' ' LEU . 45.7 mt -103.08 120.74 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 105' ' ' ARG . 4.6 tmt_? -110.04 107.89 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 34.9 m -89.46 172.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -70.08 -40.59 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.6 p -132.24 139.62 48.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 33.4 t -50.44 -50.81 51.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.6 pt-20 -43.16 -39.27 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 10.2 m-20 -65.52 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.33 93.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -49.27 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.52 -49.47 75.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.3 -43.42 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.625 ' O ' HD23 ' A' ' 120' ' ' LEU . 26.6 t-80 -64.53 -43.94 92.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -59.58 -51.13 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.4 mt -53.62 -57.85 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.32 -38.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -74.64 -43.65 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.07 -48.56 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -78.15 9.77 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.494 ' CE ' HD13 ' A' ' 120' ' ' LEU . 11.2 ttpp -130.81 101.97 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t70 62.88 42.15 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.327 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.6 p90 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 17.2 t80 -86.81 121.39 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.1 p -141.79 115.91 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' C ' HG23 ' A' ' 37' ' ' THR . 14.1 tppt? -152.88 129.37 10.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -61.76 142.66 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.63 177.54 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.2 mtmt -112.52 160.19 18.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -118.06 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 56.7 m-85 -149.44 145.8 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 2.8 p90 -129.34 153.07 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -84.91 107.16 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 50.4 mttp -142.03 137.69 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 55.27 36.32 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 56.93 35.1 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -154.26 142.93 20.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -83.66 112.14 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 31.3 mttp -105.17 164.9 11.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 35' ' ' ILE . 22.0 tt0 -96.08 124.9 40.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 24' ' ' TYR . 37.3 tttt -88.87 -44.6 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.63 137.64 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' A' ' 21' ' ' LYS . 28.8 mm -80.68 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 55' ' ' ASP . . . 171.9 -156.62 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 18' ' ' LYS . 25.2 m -129.84 146.69 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.4 tt -92.81 139.24 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -141.8 124.8 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 50' ' ' LEU . 67.4 mt -107.4 128.13 54.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -128.54 133.45 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.95 18.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 23.3 p -80.09 158.04 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.23 -27.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 3.1 m120 -102.52 -179.0 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.19 2.65 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -78.51 174.14 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 67' ' ' ILE . 98.1 m -131.33 134.34 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 14.6 tt0 -114.74 143.26 45.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 51' ' ' LEU . 9.0 tt -103.13 145.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 40.9 tp -144.71 147.2 32.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.2 t -138.62 129.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -100.93 146.82 26.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.67 167.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' HB2' HG22 ' A' ' 35' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.2 mt -98.74 117.68 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.01 -49.9 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 tp -150.45 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 64' ' ' ASN . 19.2 t-20 -137.43 104.39 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 32.0 m -146.46 177.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mt -107.39 148.26 29.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 48' ' ' THR . 88.1 mt -60.34 121.69 61.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.66 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 54.0 Cg_endo -69.81 108.14 2.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 2.6 m120 66.3 47.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.734 ' N ' ' HZ3' ' A' ' 123' ' ' LYS . 13.9 tmm? -53.34 122.83 32.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 127.29 14.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 32.1 p -109.81 133.23 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.42 107.04 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 tpt85 -84.12 116.33 22.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -123.43 163.14 21.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.95 12.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -97.98 -50.86 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 46.1 p30 -117.68 17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -93.22 138.81 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.21 104.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD13 HD12 ' A' ' 103' ' ' LEU . 10.2 tp -87.87 144.49 26.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 pt -157.27 151.25 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.74 115.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 p -155.5 152.85 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.433 ' O ' HG11 ' A' ' 65' ' ' VAL . 84.2 t -69.34 120.77 79.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.16 6.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 29.0 t30 -119.6 118.37 32.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.04 65.32 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.346 -0.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 104.11 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -49.26 -42.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.98 176.77 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.77 -35.3 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -60.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.09 17.76 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.97 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 p -41.28 -49.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.7 mtp -76.77 144.49 73.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.7 18.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.22 152.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.9 m -69.24 107.71 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.9 mtp -107.53 135.73 48.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.494 HD12 HD13 ' A' ' 82' ' ' LEU . 1.9 tt -115.92 142.41 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.436 ' N ' HD23 ' A' ' 103' ' ' LEU . 18.9 mt -116.15 133.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -121.39 106.94 11.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 111' ' ' ASP . 10.3 p -86.63 168.04 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -66.86 -53.28 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.8 p -120.12 127.33 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' ALA . 47.3 t -42.8 -50.99 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' SER . 6.8 pt-20 -35.91 -41.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 106' ' ' VAL . 16.1 t70 -66.64 -47.43 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -51.95 -53.04 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.98 -54.39 42.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.53 -44.98 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.618 ' HA ' HD12 ' A' ' 119' ' ' LEU . 22.0 t-80 -68.06 -54.65 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -41.74 -66.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 121' ' ' GLU . 39.8 mt -39.75 -61.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 116' ' ' HIS . 16.2 mt -38.61 -55.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 4.2 mm? -54.66 -38.28 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 118' ' ' ILE . 60.3 mm-40 -69.41 -49.34 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -53.9 -48.7 69.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.734 ' HZ3' ' N ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -75.35 -41.16 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 5.0 m-20 -45.63 -54.92 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 122' ' ' LYS . 44.7 p90 -80.73 -47.65 13.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 79.3 t80 -98.33 112.11 24.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.6 p -132.91 116.48 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 137.72 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -71.67 145.2 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -167.51 163.73 14.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' PHE . 11.2 ttmt -95.02 159.22 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 52' ' ' VAL . 13.7 mt -125.76 144.95 50.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 96.4 m-85 -148.96 154.92 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -136.97 141.51 42.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -86.03 103.61 14.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -129.51 122.08 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 63.45 42.11 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 58.21 46.1 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -156.8 154.13 29.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -104.88 107.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -114.9 122.81 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -60.08 144.2 50.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG3' HD22 ' A' ' 62' ' ' LEU . 22.2 tptp -96.12 -30.54 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.69 138.32 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 130.8 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 -153.15 7.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.3 m -132.59 142.35 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HG ' ' A' ' 40' ' ' LEU . 5.6 tt -91.2 143.22 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -138.52 113.28 9.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.572 ' HG ' HD21 ' A' ' 38' ' ' LEU . 29.6 mt -94.57 113.67 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.3 140.44 37.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.544 0.688 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.35 68.86 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 45' ' ' ASN . 10.4 t -118.68 170.74 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.82 -33.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' H ' HG23 ' A' ' 43' ' ' THR . 41.0 t30 -93.54 163.33 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -62.81 -7.77 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -81.77 168.18 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.821 ' O ' HD12 ' A' ' 66' ' ' LEU . 87.2 m -106.86 152.51 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.54 121.65 45.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -84.18 117.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 50' ' ' LEU . 23.5 tp -130.82 125.45 33.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 22' ' ' LEU . 86.9 t -115.19 113.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -92.61 117.23 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -63.2 161.89 12.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 37.9 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.55 127.02 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 19.9 mt -97.37 -44.45 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 88' ' ' ASN . 21.7 tp -155.3 117.63 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -129.56 107.49 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -147.41 171.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 48' ' ' THR . 19.5 tp -113.0 117.24 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' HB ' ' A' ' 48' ' ' THR . 94.6 mt -52.74 109.96 1.71 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.89 17.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.95 22.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -139.74 106.17 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ttp -143.84 113.72 5.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.22 42.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.5 t -124.42 142.79 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.22 114.71 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -81.91 125.37 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 t -131.66 155.08 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.39 -158.07 23.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.63 -50.97 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -114.27 15.68 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -101.39 151.64 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -142.7 120.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 83' ' ' ILE . 12.0 mt -97.61 141.14 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' LEU . 11.8 pt -157.54 142.55 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.9 t -101.0 118.02 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.7 p -155.25 152.1 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.0 111.69 9.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.1 m-20 -120.74 116.61 31.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.0 Cg_endo -69.78 167.18 72.02 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.358 -0.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.36 60.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.67 -42.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.0 p-10 -140.5 176.94 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.98 -34.94 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.81 -62.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -88.99 15.53 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -53.15 -56.54 15.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 t -57.58 -20.42 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.478 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 ttt -95.58 139.98 22.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 54.4 Cg_endo -69.73 161.81 44.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.11 156.16 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 138.59 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.87 138.1 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.71 119.38 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.95 113.14 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -110.03 129.78 55.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 107' ' ' LYS . 6.2 p -98.43 168.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.559 ' H ' HG22 ' A' ' 106' ' ' VAL . 28.7 ttpp -61.16 -53.96 50.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 46.1 p -113.26 134.31 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.9 p -47.04 -52.02 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.14 -50.24 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.6 m-20 -52.28 -45.29 65.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.444 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -57.48 -47.41 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.09 -40.66 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.7 tp10 -68.64 -53.57 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -44.0 -48.25 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 120' ' ' LEU . 19.7 t-80 -54.25 -48.05 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' LEU . 2.8 mptm? -67.03 -58.8 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 73.2 mt -41.45 -45.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' CE1' ' A' ' 116' ' ' HIS . 93.3 mt -79.38 -26.76 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -80.21 -31.16 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 33.4 mmtm -78.64 -44.19 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -56.47 -33.75 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 125' ' ' ALA . 0.4 OUTLIER -79.19 -45.66 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 15.3 p90 -88.9 -45.25 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 47.8 t80 -91.86 118.88 31.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -135.17 121.12 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 139.29 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -69.29 144.96 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -165.28 169.05 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 20.2 mttm -116.4 125.33 51.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.75 127.26 34.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 98.0 m-85 -126.82 125.61 41.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 27.7 p90 -107.8 150.6 26.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 38.9 tptt -97.8 117.64 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -141.05 142.65 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 52.54 33.51 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 65.46 39.68 5.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -100.31 116.95 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 20.2 mmmt -116.06 133.94 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -66.46 130.0 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 30.0 tptt -86.09 -41.98 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.94 134.37 1.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -71.48 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.56 -164.14 21.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -122.76 140.08 53.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.7 tm? -90.54 137.0 32.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.781 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.4 m-70 -135.57 111.78 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 49' ' ' GLN . 11.4 mt -97.05 106.47 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 136.27 19.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.23 20.82 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 18.6 p -88.46 159.75 17.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.02 -32.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 2.5 t-20 -94.59 -178.85 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -75.54 10.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -85.67 178.72 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.642 ' CG2' HD22 ' A' ' 40' ' ' LEU . 31.5 m -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.755 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 tt0 -96.52 149.33 21.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.41 114.11 20.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD13 ' A' ' 50' ' ' LEU . 14.5 tp -134.09 133.91 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG22 HD23 ' A' ' 38' ' ' LEU . 82.7 t -122.77 127.41 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.82 142.34 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.15 170.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.82 125.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.19 -46.55 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -155.18 115.17 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -125.19 102.39 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 86' ' ' VAL . 21.6 m -140.06 147.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 48' ' ' THR . 47.8 tp -87.77 131.36 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' A' ' 48' ' ' THR . 89.6 mt -63.97 112.01 6.56 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.89 17.88 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -5.5 16.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.84 117.7 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttt -147.14 119.56 4.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.56 19.56 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 9.0 m -112.28 146.19 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.405 ' CB ' ' HB3' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -143.81 117.71 9.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -85.58 127.62 34.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -140.82 139.65 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.33 -148.39 50.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -117.69 -37.99 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -117.91 17.94 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HB3' HD21 ' A' ' 103' ' ' LEU . 14.1 m-80 -115.54 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.69 109.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -86.82 124.4 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.8 pt -152.1 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 99' ' ' PRO . 19.5 t -116.72 126.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 p -155.35 147.72 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' O ' HG11 ' A' ' 65' ' ' VAL . 88.1 t -73.85 119.67 77.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.75 123.45 10.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -127.19 115.57 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.21 91.22 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.373 -0.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 144.78 55.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.84 -41.51 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -131.91 120.44 22.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.4 pt-20 -52.73 -25.71 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -54.2 46.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.73 16.32 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -44.26 -50.6 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.7 m -65.76 -43.03 90.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.73 132.38 74.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.7 Cg_endo -69.75 162.89 40.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 87' ' ' PRO . 20.4 m -122.12 159.66 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 82' ' ' LEU . 98.9 m -70.64 103.27 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.82 145.52 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 82' ' ' LEU . 9.3 tt -136.1 146.52 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.579 ' N ' HD23 ' A' ' 103' ' ' LEU . 5.2 mp -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -101.81 120.06 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 112' ' ' ALA . 34.7 m -100.0 166.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -60.95 -62.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 46.1 p -111.97 142.73 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -49.77 -41.06 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.8 pt-20 -51.89 -38.23 55.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 53.5 m-20 -64.36 -41.12 96.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.07 -59.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -44.13 -48.35 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -55.71 -62.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.67 -44.54 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.407 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 10.8 t-80 -63.29 -46.37 87.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -56.89 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLU . 80.2 mt -47.39 -66.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.02 -49.54 3.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.55 -37.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.6 mm-40 -75.09 -41.14 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.43 -45.74 91.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 21.2 pttt -63.01 -37.28 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 5.5 t0 -48.62 -52.56 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 38.9 p90 -78.64 -48.27 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.0 120.04 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 p -139.01 111.84 7.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -146.89 128.48 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' H ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.7 139.66 56.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 p -161.12 162.5 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HG3' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -93.76 173.27 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 52' ' ' VAL . 11.6 mt -139.49 139.54 37.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 53.0 m-85 -151.08 138.47 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 21.6 p90 -118.58 150.7 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -88.58 116.9 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.24 127.69 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 55.96 39.18 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.9 t30 61.15 44.73 9.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -156.72 147.06 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.97 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 27.9 mmtt -94.43 158.66 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -92.36 121.07 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -40.47 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.33 2.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 21' ' ' LYS . 11.0 mm -72.4 149.41 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.93 -157.77 24.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -128.88 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -90.11 139.38 30.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -138.23 122.49 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 37.1 mt -103.67 115.53 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -124.42 144.71 46.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.6 30.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 47' ' ' LYS . 8.1 t -100.27 172.23 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.45 -43.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -91.06 176.59 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.87 2.47 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 43' ' ' THR . 26.1 mtpp -81.12 168.42 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 40' ' ' LEU . 91.6 m -108.14 136.58 47.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' A' ' 66' ' ' LEU . 21.5 tt0 -100.59 117.23 34.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 50' ' ' LEU . 1.1 tm? -81.8 118.3 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.7 141.6 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 22' ' ' LEU . 86.8 t -135.22 113.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.06 135.25 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.91 174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.36 110.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.29 -53.64 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -150.43 120.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.4 105.93 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.57 159.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 49' ' ' GLN . 17.0 mt -98.76 135.26 40.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 119' ' ' LEU . 56.7 mt -67.98 112.32 10.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.5 21.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.14 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.35 109.27 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.2 ttp -143.04 122.19 7.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.21 14.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 72.9 m -114.14 133.8 55.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -137.01 117.34 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -92.08 111.85 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 82' ' ' LEU . 10.6 t -115.25 166.52 11.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.14 -153.13 35.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -97.1 -55.94 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 23.7 p-10 -117.07 17.14 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.01 151.11 21.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.15 105.5 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' CD1' HG21 ' A' ' 76' ' ' THR . 11.0 mt -92.59 139.5 30.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 pt -154.2 166.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 99' ' ' PRO . 3.8 t -118.82 113.09 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.22 146.77 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.15 118.35 60.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.423 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 4.2 m120 -125.46 120.09 24.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.79 161.15 86.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.97 43.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -78.02 -42.41 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.28 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -114.86 -34.3 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -79.47 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -79.76 11.15 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.33 -65.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -43.2 -49.24 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.0 ttt -64.64 133.5 95.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.671 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.79 156.3 63.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.57 152.39 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.501 ' CG2' HD22 ' A' ' 82' ' ' LEU . 7.6 m -68.95 133.73 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' HD23 ' A' ' 82' ' ' LEU . 8.4 mtp -130.81 142.97 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.27 139.23 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.4 mt -127.36 127.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -103.47 115.85 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.628 HG21 ' N ' ' A' ' 112' ' ' ALA . 27.5 m -97.03 177.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -49.52 -61.64 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 p -145.69 168.55 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -47.68 -30.93 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 2.0 tp10 -65.58 -40.98 93.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.17 -36.85 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.628 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.56 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -39.25 -61.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -44.47 -55.35 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.14 -59.11 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 53.7 t-80 -47.54 -64.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -38.3 -66.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.8 mt -37.13 -65.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -44.17 -44.68 7.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.88 -58.92 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.53 -53.48 4.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -67.79 -42.6 81.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' ASP . 13.7 ttpp -44.27 -46.57 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' LYS . 20.2 t0 -37.91 -59.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 40' ' ' LEU . 43.0 p90 -93.95 -48.75 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 72.5 t80 -95.27 114.14 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -132.85 105.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -141.8 126.17 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 141.24 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -162.26 174.94 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -120.36 141.25 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.31 141.34 29.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -140.38 123.98 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -111.76 153.5 26.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -85.67 114.91 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -134.22 122.51 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.32 40.31 11.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.09 42.65 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -159.46 160.17 34.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -91.8 125.13 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -114.88 163.5 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -92.85 116.7 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -81.67 -43.14 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.31 141.38 3.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -85.76 120.89 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.94 -159.21 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.5 m -125.16 149.84 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 50' ' ' LEU . 10.3 tt -101.07 141.19 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -133.09 142.41 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 50' ' ' LEU . 53.9 mt -131.85 117.51 18.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.32 149.16 66.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.49 45.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -98.36 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.16 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 17.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 58.93 38.36 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HD3' HD21 ' A' ' 66' ' ' LEU . 3.0 mtpm? -119.52 177.76 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.2 m -115.94 108.26 16.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -93.46 138.17 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 40' ' ' LEU . 5.4 tp -97.44 130.36 44.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 tp -140.27 142.17 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -129.21 127.13 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.8 132.3 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.3 171.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -81.85 117.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -85.75 -50.93 6.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 88' ' ' ASN . 4.2 tp -151.49 118.67 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -125.25 103.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.7 m -146.61 154.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD21 ' HD3' ' A' ' 47' ' ' LYS . 49.2 tp -95.61 144.73 25.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 70.9 mt -67.94 111.88 9.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.749 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.76 169.67 18.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.19 14.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -123.71 113.34 18.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 ttt -146.34 117.98 4.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.22 53.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.424 ' SG ' HD11 ' A' ' 120' ' ' LEU . 30.0 p -124.51 135.25 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 p -140.32 108.07 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.669 ' NH1' ' HB1' ' A' ' 112' ' ' ALA . 6.6 mmm180 -83.34 115.06 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -116.43 131.65 56.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.51 -150.03 41.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -118.02 -32.94 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.438 ' ND2' ' HE ' ' A' ' 105' ' ' ARG . 4.1 p-10 -117.99 18.0 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 103' ' ' LEU . 61.4 m-20 -127.43 147.47 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.39 118.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 102' ' ' MET . 10.0 mt -91.03 128.55 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.9 pt -140.16 147.95 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.8 t -107.63 111.75 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 76.0 m -150.4 157.37 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.88 117.67 63.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.738 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.1 Cg_endo -69.84 132.23 22.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 t-20 -128.47 114.28 19.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.589 0.709 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.3 Cg_endo -69.79 166.8 73.19 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.312 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.34 53.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.419 HG22 ' OD1' ' A' ' 92' ' ' ASP . 34.1 mm -59.64 -44.21 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.756 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 m-20 -139.75 165.51 27.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.28 -28.61 38.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -73.96 -48.0 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -100.66 17.4 21.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -59.02 -46.07 89.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 84.8 m -63.97 -40.3 96.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.7 mtt -79.61 142.88 58.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 165.79 29.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.429 HG22 ' HD3' ' A' ' 87' ' ' PRO . 5.6 m -128.55 151.72 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.446 ' CG2' HD22 ' A' ' 82' ' ' LEU . 34.0 m -69.05 137.0 53.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.553 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.6 mtt -132.26 150.8 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 80' ' ' ASN . 1.9 tm? -131.85 118.1 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.6 mt -93.0 113.8 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.438 ' HE ' ' ND2' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -100.59 112.23 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.94 164.22 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.98 -51.05 43.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.9 p -110.86 142.59 42.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.2 p -55.76 -46.7 77.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.75 -47.35 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.45 -48.5 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' ' NH1' ' A' ' 75' ' ' ARG . . . -52.56 -56.97 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -46.03 -47.76 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.64 -51.48 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 104' ' ' ILE . 22.0 tp -48.27 -50.05 31.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.675 ' O ' HD23 ' A' ' 120' ' ' LEU . 36.5 t-80 -57.1 -55.23 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.8 -60.7 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' HA ' ' CD ' ' A' ' 121' ' ' GLU . 70.0 mt -48.86 -39.56 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.71 -33.99 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.5 mm? -76.3 -47.68 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.474 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 9.8 pt-20 -64.24 -43.82 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -56.95 -45.24 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -71.69 -34.41 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.1 t70 -49.5 -50.43 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 50.1 p90 -68.72 -46.04 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' A' ' 118' ' ' ILE . 47.8 t80 -98.58 119.02 36.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -132.08 106.22 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -137.42 135.82 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.72 139.86 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.2 p -164.91 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.9 168.57 9.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.65 133.93 44.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.97 151.69 48.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.834 ' CD2' HD13 ' A' ' 91' ' ' ILE . 4.6 p90 -134.19 151.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -87.69 111.82 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -132.2 125.54 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.67 43.69 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 59.29 39.16 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.74 167.39 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.89 123.53 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -118.42 153.16 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -91.37 -41.8 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.42 127.9 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.7 mt -74.8 140.38 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.56 -157.69 13.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.4 m -125.16 134.71 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 39' ' ' HIS . 3.4 tm? -86.1 136.92 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.7 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.7 m-70 -133.17 120.45 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 38' ' ' LEU . 13.3 mt -104.03 134.57 47.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -147.05 134.51 10.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.678 . . . . 0.0 110.907 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.29 53.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.4 p -100.81 166.45 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.13 64.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -83.99 13.42 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.81 36.84 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.4 mtpp -107.57 178.4 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.525 HG22 HD12 ' A' ' 67' ' ' ILE . 24.3 m -121.24 105.17 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -97.59 147.25 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.5 tp -104.81 134.79 47.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -143.73 122.05 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' HD23 ' A' ' 38' ' ' LEU . 81.5 t -119.51 115.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -88.19 137.69 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.06 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.18 121.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.98 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.66 117.83 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 20.2 t-20 -125.39 107.49 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.9 m -143.92 152.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 47' ' ' LYS . 21.5 tp -91.63 119.26 31.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.696 HG23 ' SD ' ' A' ' 71' ' ' MET . 94.6 mt -56.44 108.83 1.34 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' MET . 53.8 Cg_endo -69.79 164.68 33.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.6 18.09 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.696 ' SD ' HG23 ' A' ' 67' ' ' ILE . 10.7 ttp -52.09 107.13 0.76 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.588 0.709 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 53.9 Cg_endo -69.77 126.12 12.93 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.664 ' HG ' ' CD2' ' A' ' 116' ' ' HIS . 6.4 t -115.8 136.99 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -134.62 107.46 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -74.93 115.39 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.701 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.5 t -114.63 151.71 33.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.3 -144.42 6.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -117.67 -32.57 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.517 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -118.0 5.58 12.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.701 ' HB2' HG23 ' A' ' 76' ' ' THR . 35.2 m-20 -103.9 152.12 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.7 t -141.92 114.56 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 102' ' ' MET . 11.0 mt -97.92 142.22 29.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' LEU . 22.2 pt -157.4 166.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -119.1 119.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.83 144.99 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.58 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.9 t -69.13 117.52 52.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.2 7.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -126.13 116.5 23.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.08 84.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.344 -0.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.52 42.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.834 HD13 ' CD2' ' A' ' 24' ' ' TYR . 35.3 mt -77.35 -41.27 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.26 153.29 24.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -100.05 -32.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 1.6 mmpt? -45.84 -38.24 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -157.53 103.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.67 -44.2 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -47.6 -27.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.5 ttt -89.26 129.8 46.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.81 20.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 m -130.94 155.8 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.506 ' CG2' HD22 ' A' ' 82' ' ' LEU . 40.3 m -70.6 138.58 50.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.619 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.6 mtp -128.6 149.21 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -127.16 121.56 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.587 ' N ' HD13 ' A' ' 103' ' ' LEU . 57.5 mt -106.2 114.34 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -108.72 109.92 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 107' ' ' LYS . 14.1 p -92.73 161.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.9 tppt? -47.1 -65.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 106' ' ' VAL . 78.5 p -111.57 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.7 p -56.13 -50.94 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.35 -40.17 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 106' ' ' VAL . 9.5 m-20 -59.64 -47.82 84.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.48 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -51.88 -51.46 56.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -38.33 -57.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.8 -54.62 44.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' HG ' ' A' ' 73' ' ' CYS . 51.7 t-80 -52.61 -38.84 60.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -66.84 -57.53 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 16' ' ' TYR . 55.1 mt -42.63 -45.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 116' ' ' HIS . 22.7 mt -56.47 -47.64 78.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 116' ' ' HIS . 82.5 mt -67.29 -65.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.468 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 13.0 pt-20 -41.73 -45.42 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -74.13 -42.78 59.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -42.32 -58.48 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -52.46 -52.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.7 p90 -56.97 -41.94 79.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 39.3 t80 -111.18 111.33 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -132.13 118.99 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -154.38 129.37 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -61.48 138.46 58.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 19.7 p -160.06 163.0 34.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -93.45 175.06 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.17 126.37 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 40.4 m-85 -134.45 140.81 46.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 52.3 p90 -123.86 144.74 49.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -87.22 109.39 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -134.25 123.25 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 61.78 41.0 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m120 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -157.07 145.25 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -93.69 119.55 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 mmpt? -112.92 132.86 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -66.26 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -70.2 -42.67 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.51 124.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -62.95 133.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.96 179.66 38.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 m -103.21 128.84 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -85.33 139.48 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.741 ' N ' HD13 ' A' ' 38' ' ' LEU . 20.1 m-70 -139.25 130.03 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 50' ' ' LEU . 90.0 mt -106.3 121.07 43.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -119.47 128.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.03 55.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 p -109.24 162.7 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.51 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -88.01 12.64 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 62.28 32.76 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.859 ' HB3' HD11 ' A' ' 66' ' ' LEU . 29.6 mmtm -108.21 176.05 5.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 66' ' ' LEU . 59.9 m -118.54 111.12 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -97.4 121.01 38.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD21 ' A' ' 40' ' ' LEU . 2.0 tp -80.92 133.49 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.76 112.92 6.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.58 131.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -101.33 138.25 38.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 139.17 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.2 119.09 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.74 -48.21 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD12 ' H ' ' A' ' 88' ' ' ASN . 11.8 tp -151.02 113.65 4.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.56 106.39 10.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.7 m -148.9 157.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' ' 47' ' ' LYS . 27.1 tp -98.47 136.63 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 119' ' ' LEU . 85.7 mt -64.48 111.93 6.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.09 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.31 3.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -113.23 114.49 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -153.61 123.95 3.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.52 136.12 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.6 p -142.54 111.18 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.538 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.9 mmm180 -96.24 120.29 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 80' ' ' ASN . 1.7 t -117.37 166.72 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 43.96 -155.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -97.8 -41.04 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -117.47 17.03 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.72 ' CB ' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.62 131.39 46.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.99 110.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.68 132.04 41.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.2 pt -146.41 137.93 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.02 114.82 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -153.65 162.51 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.607 ' O ' HG11 ' A' ' 65' ' ' VAL . 81.1 t -77.28 119.62 78.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.3 Cg_endo -69.75 129.47 17.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.571 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.9 m120 -124.66 118.07 26.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.8 165.62 76.29 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.291 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.82 13.79 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.63 -45.78 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 4.2 t0 -105.99 149.76 26.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.49 -44.61 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.07 -52.65 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.8 m120 -75.56 -3.19 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -36.47 -65.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.9 p -50.1 -47.72 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.11 136.4 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.5 m -140.18 158.84 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.2 m -69.06 135.51 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.0 mtp -139.09 126.05 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 104' ' ' ILE . 10.3 tt -113.17 143.95 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.408 ' N ' HD23 ' A' ' 103' ' ' LEU . 83.8 mt -123.0 133.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -119.09 102.45 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' THR . 29.8 m -82.63 157.67 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -58.31 6.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 106' ' ' VAL . 3.5 t -112.25 149.83 31.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.6 p -58.51 -50.05 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -43.78 -46.17 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' H ' HG23 ' A' ' 108' ' ' THR . 16.3 m-20 -52.35 -44.2 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -44.88 -36.56 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' LEU . 8.6 mm-40 -76.76 -66.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 19.7 tp -35.01 -47.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.3 t-80 -65.37 -58.54 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -50.72 -63.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.8 mt -44.42 -43.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.552 ' CD2' HD11 ' A' ' 67' ' ' ILE . 22.0 mt -61.52 -32.18 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.63 -35.07 30.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.69 -44.59 63.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -57.85 -47.42 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -34.54 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -57.42 -52.64 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.774 0.321 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 16.3 p90 -64.29 -39.6 94.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -106.51 120.43 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 3.6 t -141.92 116.94 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 139.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -70.23 152.93 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -167.98 174.94 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -110.39 126.06 53.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.44 134.56 33.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -139.65 135.73 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 10.2 p90 -123.7 141.78 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -86.32 105.13 16.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -127.33 121.01 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.39 38.67 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 t30 62.47 42.01 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -154.14 146.42 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.85 112.21 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 7.3 mmpt? -110.91 148.59 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.15 119.3 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.02 -38.68 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.73 130.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 36' ' ' GLY . 16.2 mt -74.72 152.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 179.01 -145.29 6.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -133.34 120.85 21.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -84.98 137.54 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' N ' HD22 ' A' ' 38' ' ' LEU . 59.3 m-70 -131.45 142.07 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 12.5 mt -121.65 118.14 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 150.37 52.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 45' ' ' ASN . 14.2 t -121.94 177.32 5.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.96 -39.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.602 ' H ' HG23 ' A' ' 43' ' ' THR . 3.8 m120 -101.32 162.41 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -57.39 164.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.615 ' O ' HD12 ' A' ' 66' ' ' LEU . 94.4 m -112.08 131.22 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.45 132.4 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.859 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -98.47 125.41 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.7 tp -139.14 141.42 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 38' ' ' LEU . 92.7 t -129.32 121.71 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -85.73 155.62 20.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.6 147.42 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.03 -45.83 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -154.77 113.49 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -120.54 105.27 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 28.2 m -148.52 148.79 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 48' ' ' THR . 15.9 tp -90.87 136.78 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.78 113.95 17.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.03 17.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.12 24.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.34 111.07 13.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttp -139.79 121.44 9.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.529 0.68 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 136.7 33.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.633 ' SG ' HD21 ' A' ' 120' ' ' LEU . 28.2 p -118.73 132.2 56.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 p -134.45 107.97 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 tpt85 -80.47 113.41 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.2 t -112.06 159.83 18.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.92 -156.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 23.0 pttp -95.08 -48.75 5.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 20.4 p-10 -109.52 15.94 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.795 ' HB2' HG23 ' A' ' 76' ' ' THR . 18.6 m120 -103.33 137.28 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 31.8 t -133.44 116.14 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.488 HD22 ' CG2' ' A' ' 101' ' ' THR . 11.0 mt -96.86 133.15 41.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.78 140.57 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 t -100.87 111.96 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -152.31 150.45 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.73 117.09 50.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.5 Cg_endo -69.82 126.66 13.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 2.5 m120 -123.02 121.14 27.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.74 165.67 75.99 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.35 -0.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.63 45.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.13 -43.81 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t0 -113.55 152.2 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.29 -12.82 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.63 -37.01 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -101.26 0.79 38.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -37.34 -63.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.0 p -49.64 -47.97 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.2 ttt -70.18 135.63 86.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.539 0.685 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.2 35.43 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.443 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.4 m -127.99 155.77 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.488 ' CG2' HD22 ' A' ' 82' ' ' LEU . 18.6 m -71.03 136.7 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 mtp -130.77 142.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -124.02 122.9 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.624 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.0 mt -107.4 118.19 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -104.1 114.01 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.43 165.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.707 ' HG3' HG22 ' A' ' 108' ' ' THR . 2.4 ptmm? -50.98 -58.77 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.707 HG22 ' HG3' ' A' ' 107' ' ' LYS . 1.8 t -129.77 144.55 51.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 112' ' ' ALA . 91.7 p -45.2 -55.21 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.564 ' HG2' HG23 ' A' ' 108' ' ' THR . 4.6 pt-20 -38.53 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' SER . 3.7 t70 -73.92 -46.96 41.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLU . . . -57.25 -43.16 82.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -40.22 -25.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.555 ' CG ' HD11 ' A' ' 118' ' ' ILE . 3.9 tp10 -92.85 -55.75 3.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.592 HD23 HG21 ' A' ' 81' ' ' VAL . 20.5 tp -39.45 -28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' GLU . 44.9 t-80 -80.83 -69.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.0 ptmt -44.71 -48.85 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 114' ' ' GLU . 73.3 mt -50.47 -58.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.45 -44.7 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.633 HD21 ' SG ' ' A' ' 73' ' ' CYS . 21.7 mt -62.25 -36.82 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -70.85 -40.48 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HD3' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.21 -42.39 81.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.587 ' CE ' HD23 ' A' ' 120' ' ' LEU . 9.8 pttp -80.15 -41.45 25.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 8.0 m-20 -58.58 -54.4 47.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.831 0.348 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 33.8 p90 -97.49 -50.18 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -123.36 120.1 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -149.55 132.75 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -73.44 142.48 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 p -167.51 174.3 7.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -103.73 162.12 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -128.95 137.62 51.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -143.36 130.08 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 14.3 p90 -110.07 143.57 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -87.42 111.21 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -137.25 138.12 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.1 40.55 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 57.73 47.28 15.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -162.46 154.28 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -98.41 120.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 4.9 mmpt? -121.83 121.24 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.39 132.81 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -89.05 -41.79 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.18 122.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.72 135.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.01 -158.9 20.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.9 m -124.92 137.16 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 50' ' ' LEU . 2.3 tt -89.3 146.04 24.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 97.3 m-70 -135.89 114.13 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 11.6 mt -95.93 117.86 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -131.63 135.4 26.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.796 HG22 ' C ' ' A' ' 47' ' ' LYS . 5.0 t -103.06 171.05 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 43' ' ' THR . . . -64.26 172.65 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 m120 61.19 31.97 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 51.21 45.18 28.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.796 ' C ' HG22 ' A' ' 43' ' ' THR . 21.4 mmtt -121.46 172.21 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.535 ' O ' HD13 ' A' ' 66' ' ' LEU . 89.6 m -126.2 125.19 42.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -95.6 125.91 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.681 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 tm? -95.34 116.4 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.671 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.1 tp -123.61 145.44 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.39 122.62 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -97.59 147.64 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 147.77 49.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.82 112.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 62' ' ' LEU . 12.6 mt -80.43 -45.02 18.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 88' ' ' ASN . 13.9 tp -157.7 112.37 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -119.8 102.15 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 m -149.8 162.86 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 43' ' ' THR . 4.3 mm? -83.34 166.88 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 65.6 mt -113.06 102.01 54.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.684 0.754 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.73 150.98 69.13 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.98 29.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -88.0 16.99 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -75.23 119.81 78.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.34 24.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 16.7 p -141.51 133.32 27.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -144.06 102.03 3.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 80' ' ' ASN . 3.6 mmm180 -85.56 129.54 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.739 HG23 ' HB2' ' A' ' 80' ' ' ASN . 5.9 t -125.52 146.92 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.71 -142.72 48.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 78' ' ' LYS . 3.0 ttmp? -117.96 -36.57 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -115.76 13.56 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.739 ' HB2' HG23 ' A' ' 76' ' ' THR . 10.9 m120 -115.3 149.25 38.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 116' ' ' HIS . 11.9 p -152.63 122.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 101' ' ' THR . 16.3 mt -92.13 152.25 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 82' ' ' LEU . 2.4 pp -158.36 152.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.6 121.15 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.2 p -154.8 157.91 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.25 123.86 70.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.064 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.81 131.21 20.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 63' ' ' LEU . 41.6 t30 -134.76 112.59 11.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.75 170.0 60.56 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.337 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 55.2 mt -92.97 -40.92 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -114.08 117.52 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.0 tt0 -61.41 -45.08 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' GLU . 14.1 mmtp -34.29 -44.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -152.73 102.79 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -92.64 -60.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' ALA . 41.0 m -35.71 -42.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 ttt -65.2 131.63 95.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.464 HG22 ' HD3' ' A' ' 87' ' ' PRO . 6.4 m -136.46 153.93 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 82' ' ' LEU . 95.3 m -71.47 132.72 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtt -132.79 126.87 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tt -106.63 138.67 42.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.675 HD13 HD21 ' A' ' 115' ' ' LEU . 45.5 mt -119.55 117.34 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.32 103.16 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.773 HG21 ' N ' ' A' ' 112' ' ' ALA . 8.0 m -87.29 178.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.41 -67.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.411 ' HB ' ' CD ' ' A' ' 110' ' ' GLU . 81.8 p -82.98 151.84 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 p -66.16 -47.15 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 24.5 pm0 -54.65 -28.72 49.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' N ' ' HG2' ' A' ' 110' ' ' GLU . 6.5 m-20 -66.52 -54.83 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.773 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -48.9 -58.8 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.58 -42.35 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.96 -36.84 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.675 HD21 HD13 ' A' ' 104' ' ' ILE . 31.6 tp -69.6 -57.86 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HB2' HG21 ' A' ' 81' ' ' VAL . 9.6 t-80 -51.0 -42.88 60.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -59.84 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.564 HG22 ' HD3' ' A' ' 122' ' ' LYS . 57.9 mt -38.79 -54.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.32 -53.65 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 73' ' ' CYS . 53.2 mt -47.82 -36.05 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.68 -57.26 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HD3' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -50.65 -46.06 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 30.9 pttt -62.16 -43.3 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.484 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 28.2 m-20 -50.54 -48.99 57.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.849 0.357 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 37.3 p90 -75.36 -49.08 20.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 38.1 t80 -83.92 108.75 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -126.55 108.25 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -146.97 136.14 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 140.54 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 105' ' ' ARG . 16.8 p -162.11 159.18 25.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -95.53 168.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.33 134.92 44.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 10.9 m-85 -140.88 153.89 45.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -134.19 153.17 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -89.44 114.03 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 126.26 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t0 59.59 38.82 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.55 41.81 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -156.13 161.14 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -107.78 116.46 31.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -106.82 153.85 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.37 116.41 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -75.38 -40.91 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.31 131.84 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.45 144.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.089 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.22 -154.72 11.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -126.41 143.82 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.806 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.2 tm? -101.2 139.86 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.658 ' H ' HD22 ' A' ' 38' ' ' LEU . 22.9 m80 -137.46 118.02 13.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD22 ' CG2' ' A' ' 48' ' ' THR . 26.0 mt -93.03 106.61 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 29.5 mtmt -107.22 121.79 43.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.42 24.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -128.15 170.13 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.93 62.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -86.37 18.01 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 62.87 35.41 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -121.07 176.68 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' HD22 ' A' ' 40' ' ' LEU . 90.9 m -130.28 132.1 45.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.06 128.1 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -83.97 125.53 32.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.636 ' N ' HD13 ' A' ' 50' ' ' LEU . 5.2 tp -141.68 133.46 27.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.55 119.32 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -85.68 149.54 25.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.48 158.93 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.3 145.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.09 -47.06 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tp -153.18 112.66 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' CB ' HD12 ' A' ' 51' ' ' LEU . 44.5 t-20 -125.65 102.25 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG11 ' O ' ' A' ' 86' ' ' VAL . 32.9 m -143.47 150.09 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -91.86 128.23 37.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.434 HD12 ' HB ' ' A' ' 48' ' ' THR . 97.5 mt -57.48 113.61 6.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.11 37.28 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.43 104.94 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ttp -144.06 125.32 7.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 154.54 67.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.416 ' CB ' HD21 ' A' ' 120' ' ' LEU . 25.8 p -134.5 135.5 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.56 103.24 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -78.11 107.52 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.62 HG23 ' HB2' ' A' ' 80' ' ' ASN . 14.3 t -108.08 162.14 14.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.97 -159.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -96.45 -44.66 7.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 11.7 p-10 -118.0 16.39 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.62 ' HB2' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.56 135.19 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.77 106.33 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.9 tp -86.46 128.08 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.9 pt -143.91 144.84 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 t -105.0 120.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.5 162.7 41.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.556 ' O ' HG11 ' A' ' 65' ' ' VAL . 47.0 t -80.03 122.56 83.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.73 118.6 5.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -122.63 115.23 29.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.37 74.35 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.313 -0.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.89 41.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.2 mt -77.55 -43.81 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.31 147.19 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.28 -40.58 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ASN . 3.0 pttm -47.2 -30.53 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 7.7 m120 -157.71 103.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.2 -58.72 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 m -43.08 -42.39 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpp -58.85 124.74 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 164.16 35.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' A' ' 87' ' ' PRO . 10.8 m -133.33 157.92 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.5 m -72.87 118.5 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 mmt -120.29 136.76 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 80' ' ' ASN . 2.5 tt -117.84 138.93 51.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.3 mp -128.22 131.23 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 6.1 ptm180 -117.59 145.87 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' N ' ' A' ' 112' ' ' ALA . 12.3 m -122.49 162.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -61.18 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 106' ' ' VAL . 4.6 t -101.83 159.63 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.5 t -66.92 -47.31 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.34 -30.2 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.02 -40.57 75.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.636 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -61.61 -56.56 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.14 -44.86 88.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 118' ' ' ILE . 35.2 tp10 -64.78 -63.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 7.0 tp -39.17 -41.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.455 ' CD2' HD11 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -75.29 -39.09 60.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' GLU . 38.3 mtpt -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.7 mp -50.69 -63.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.884 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -55.82 -32.97 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 119' ' ' LEU . 20.8 mt -70.33 -27.22 64.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -86.84 -37.02 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.409 ' CG ' ' OG1' ' A' ' 48' ' ' THR . 28.8 mmtm -73.34 -44.08 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 14.2 pttp -50.11 -39.53 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 3.9 t70 -80.32 -45.36 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 6.3 p90 -98.02 -45.87 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 115' ' ' LEU . 8.7 t80 -95.33 125.32 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB2' ' CD2' ' A' ' 39' ' ' HIS . 10.8 t -140.8 118.66 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -147.37 143.83 28.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.9 126.14 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.83 173.89 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -104.63 165.78 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.99 137.19 47.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -139.67 128.2 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -110.47 145.03 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 41.3 tttm -86.17 113.63 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -138.29 127.02 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.62 40.24 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 58.65 44.12 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -160.31 152.44 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -96.24 126.49 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 135.13 53.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.45 120.64 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -77.05 -40.61 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.93 135.65 2.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.96 123.48 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.45 -156.24 7.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 m -133.0 132.4 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 50' ' ' LEU . 7.0 tt -86.61 146.31 26.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 40.4 m80 -142.37 118.54 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 50' ' ' LEU . 18.1 mt -104.28 129.66 52.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 140.04 34.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 54.1 Cg_endo -69.74 134.05 27.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.7 p -89.06 159.51 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.59 -178.02 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 16.0 tm0? -74.51 10.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.92 174.37 10.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 122' ' ' LYS . 18.8 m -131.26 130.02 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.4 tt0 -101.52 152.87 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 38' ' ' LEU . 1.4 tm? -122.05 125.02 45.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.3 tp -136.87 132.21 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.17 123.65 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -92.68 145.08 24.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.31 136.91 32.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.84 146.44 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -98.01 -46.99 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.5 tp -154.86 116.56 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -126.49 101.98 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.933 HG11 ' O ' ' A' ' 86' ' ' VAL . 31.1 m -140.36 162.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 tp -101.57 142.41 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.43 109.99 1.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.95 17.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.34 35.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.26 119.52 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.413 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 1.2 tmt? -141.19 102.04 6.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 54.0 Cg_endo -69.75 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 27.8 p -102.83 135.06 45.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -143.19 102.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CD ' HG23 ' A' ' 81' ' ' VAL . 3.7 mmm180 -86.5 122.05 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 76' ' ' THR . 5.3 t -128.44 121.08 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.95 -150.06 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -117.94 -37.98 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -117.43 18.05 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -130.19 136.99 49.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 116' ' ' HIS . 7.8 p -140.23 123.72 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -88.62 139.87 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.7 pt -148.33 134.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.03 119.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.11 163.35 39.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.933 ' O ' HG11 ' A' ' 65' ' ' VAL . 98.1 t -84.0 118.53 71.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.0 Cg_endo -69.74 122.73 9.41 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.605 ' HB2' HG12 ' A' ' 65' ' ' VAL . 3.2 t-20 -125.84 115.41 24.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.75 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.1 Cg_endo -69.78 160.41 88.14 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.33 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 120.98 7.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.13 -45.55 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -118.91 151.46 38.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.71 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.0 pt-20 -86.81 -43.29 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -49.05 -43.39 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.81 13.84 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.71 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -40.76 -61.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 p -54.71 -43.4 72.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.1 ttt -72.89 139.47 80.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.61 33.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.421 HG22 ' HD3' ' A' ' 87' ' ' PRO . 11.2 m -129.84 160.78 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 62.6 m -69.91 135.01 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.48 147.14 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 80' ' ' ASN . 7.6 tt -129.62 141.74 50.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' ILE . 15.3 mt -118.6 106.97 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 32.0 mtm180 -100.08 109.57 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 107' ' ' LYS . 9.2 p -95.23 168.87 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.585 ' H ' HG22 ' A' ' 106' ' ' VAL . 24.5 mttp -57.83 -60.02 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -115.07 143.93 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 5.6 t -49.14 -56.16 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -38.79 -39.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.504 ' HB3' HG21 ' A' ' 106' ' ' VAL . 15.4 m-20 -67.12 -39.73 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.525 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -55.08 -61.55 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -43.79 -41.98 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.02 -44.39 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' A' ' 115' ' ' LEU . 0.3 OUTLIER -60.83 -59.85 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.724 ' HE1' HD11 ' A' ' 120' ' ' LEU . 6.7 t-80 -54.87 -40.86 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -55.93 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' LEU . 97.6 mt -48.91 -56.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ILE . 14.0 mt -35.85 -55.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 123' ' ' LYS . 79.1 mt -49.01 -45.56 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 2.7 mm-40 -70.34 -37.88 74.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.673 ' HB3' HG21 ' A' ' 48' ' ' THR . 28.9 mmtm -76.51 6.69 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.824 ' CE ' HD23 ' A' ' 120' ' ' LEU . 5.6 pttt -135.48 115.26 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 t70 65.1 34.06 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.869 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 40' ' ' LEU . 42.4 t80 -87.48 121.43 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.4 p -140.83 106.9 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -144.68 137.96 26.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -76.75 140.94 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.9 p -163.78 177.89 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -117.45 126.32 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.89 143.51 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -145.15 132.97 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 36.1 p90 -120.24 146.71 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -93.73 115.48 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 ptmt -140.98 140.76 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.01 36.08 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.91 47.99 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -162.17 156.17 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -97.76 113.42 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.8 mmmp? -109.3 152.58 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -86.38 122.64 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -78.95 -45.44 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.63 118.78 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.14 126.76 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.42 -134.72 1.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.4 m -131.79 131.45 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 39' ' ' HIS . 1.9 tm? -82.48 138.06 34.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.931 ' N ' HD13 ' A' ' 38' ' ' LEU . 42.9 m-70 -134.63 161.94 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.869 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 76.9 mt -146.9 107.57 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -127.53 143.21 46.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.65 38.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -98.68 169.88 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.97 -46.91 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.27 177.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.96 15.9 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -111.62 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 66' ' ' LEU . 93.0 m -107.49 140.27 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 50' ' ' LEU . 28.6 tt0 -105.14 149.83 25.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -116.07 123.85 48.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.489 HD13 ' ND2' ' A' ' 64' ' ' ASN . 10.7 tp -138.15 119.71 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 38' ' ' LEU . 6.3 t -100.22 124.86 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -93.4 143.23 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 177.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.11 113.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 62' ' ' LEU . 18.1 mt -89.63 -54.16 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -145.07 114.08 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.489 ' ND2' HD13 ' A' ' 51' ' ' LEU . 43.0 t-20 -118.22 110.32 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.52 158.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 48' ' ' THR . 52.6 tp -103.7 140.72 37.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 122' ' ' LYS . 90.8 mt -68.57 111.63 8.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -28.04 25.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -133.62 116.06 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 ttp -139.87 128.97 13.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 145.89 58.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.453 ' HB2' ' HE2' ' A' ' 116' ' ' HIS . 25.0 p -127.94 124.26 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.65 110.13 11.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HD3' HG22 ' A' ' 81' ' ' VAL . 3.1 mmm180 -89.33 118.65 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 80' ' ' ASN . 11.8 t -120.14 159.9 23.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.59 -150.18 35.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -97.91 -55.06 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -116.56 17.77 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HB2' HG23 ' A' ' 76' ' ' THR . 43.4 m-20 -96.17 133.04 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 75' ' ' ARG . 91.6 t -123.98 123.32 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 ' CG2' ' A' ' 101' ' ' THR . 1.4 tt -105.52 136.59 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.539 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.6 pt -140.36 164.64 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 99' ' ' PRO . 11.1 t -129.14 120.12 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.9 p -155.56 158.12 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.12 110.98 18.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.645 0.736 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.521 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.6 Cg_endo -69.72 139.45 40.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -129.17 113.44 18.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.48 58.35 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.343 -0.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.52 -38.1 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.47 156.85 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -99.27 -37.2 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.63 -46.66 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.8 17.9 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.85 -62.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -45.57 -46.43 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.96 162.27 65.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.77 174.99 8.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.521 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.4 p -122.41 149.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.633 ' CG2' HD21 ' A' ' 82' ' ' LEU . 19.3 m -85.71 109.67 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.419 ' HG3' HG13 ' A' ' 100' ' ' VAL . 9.4 mtp -114.52 155.83 25.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 tt -142.32 129.78 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.8 mt -101.0 137.61 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.8 120.3 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.489 HG11 ' OD2' ' A' ' 111' ' ' ASP . 27.5 m -109.55 174.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -82.44 -53.99 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.42 HG23 ' HG2' ' A' ' 110' ' ' GLU . 7.0 t -105.69 146.9 29.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' GLU . 11.3 m -58.8 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' SER . 5.3 pt-20 -35.4 -39.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.489 ' OD2' HG11 ' A' ' 106' ' ' VAL . 27.7 t0 -57.15 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 81' ' ' VAL . . . -52.22 -61.3 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 117' ' ' LYS . 25.8 t70 -38.21 -58.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 8.4 tp10 -59.81 -53.31 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.8 tp -46.75 -45.0 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.795 ' CE1' HD11 ' A' ' 120' ' ' LEU . 42.4 t-80 -66.17 -47.36 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 19.6 mttp -59.8 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 89.7 mt -38.84 -64.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.1 mt -39.64 -57.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.795 HD11 ' CE1' ' A' ' 116' ' ' HIS . 39.9 mt -52.12 -36.03 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' ILE . 45.0 mt-10 -72.32 -55.34 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 67' ' ' ILE . 3.0 mtmp? -48.54 -36.98 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 4.6 pttp -81.74 -32.07 31.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.6 t70 -52.65 -49.57 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CZ ' ' NZ ' ' A' ' 122' ' ' LYS . 29.5 p90 -61.85 -39.22 91.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -93.48 133.92 36.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.9 p -140.13 106.27 5.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HD3' HG23 ' A' ' 106' ' ' VAL . 4.5 tmmm? -133.23 127.94 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 2.9 mppt? -87.19 126.95 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 p -161.78 177.54 9.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -111.51 165.82 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 11.4 mt -120.37 140.29 51.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 32' ' ' GLU . 94.2 m-85 -137.57 134.35 35.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -117.77 149.34 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 29.3 tptt -91.92 113.64 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 26.8 tttp -142.23 146.05 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 50.05 40.0 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 56.87 47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.51 152.05 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 22.2 m-85 -92.84 118.36 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -116.43 150.71 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 26.5 tp10 -80.93 130.25 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -83.17 -43.76 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.83 130.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.31 139.25 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.64 -148.39 6.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -133.38 145.54 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.338 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -93.73 136.59 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.659 ' N ' HD22 ' A' ' 38' ' ' LEU . 66.6 m-70 -133.73 149.2 51.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 70.2 mt -129.73 115.46 17.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.18 121.59 38.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.17 68.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.2 p -112.75 178.53 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.82 -26.47 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -81.4 17.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 56.89 35.18 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -110.93 178.34 4.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 67' ' ' ILE . 46.6 m -130.38 122.92 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -99.04 131.14 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.1 tm? -86.73 115.73 24.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.5 tp -132.44 136.56 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 38' ' ' LEU . 96.7 t -126.08 117.01 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -85.58 155.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' A' ' 60' ' ' ASN . . . -97.32 155.41 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.626 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.8 t30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.9 mt -86.31 129.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 70.4 mt -105.58 -37.95 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.6 tp -154.35 116.48 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -128.4 104.96 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 86' ' ' VAL . 29.1 m -154.92 148.17 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.86 147.12 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.701 HD12 ' HB ' ' A' ' 48' ' ' THR . 69.2 mt -65.88 112.43 8.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.138 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.88 17.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.295 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.92 5.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -122.51 123.48 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttp -154.84 122.36 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.1 p -112.67 132.76 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -139.3 103.44 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.2 mmm180 -80.87 112.05 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.695 HG23 ' HB2' ' A' ' 80' ' ' ASN . 10.9 t -108.15 152.39 24.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.52 -151.81 17.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -110.12 -35.44 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -117.94 18.07 14.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.695 ' HB2' HG23 ' A' ' 76' ' ' THR . 4.2 m-80 -113.09 144.06 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.649 HG21 HD23 ' A' ' 115' ' ' LEU . 59.0 t -137.46 111.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.739 HD13 HD23 ' A' ' 103' ' ' LEU . 10.4 tp -94.13 128.34 40.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.8 pt -144.66 138.21 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 113.42 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.74 153.19 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.464 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.1 t -75.69 118.37 70.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 126.31 13.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 5.6 m120 -125.93 116.37 24.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.79 164.18 80.0 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.351 -0.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.28 20.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.31 -43.57 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.91 147.33 27.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.76 -42.53 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -39.56 -42.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -153.51 102.06 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 -42.47 8.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -45.06 -34.52 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.0 ttt -83.19 130.26 57.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.87 44.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.3 m -122.66 158.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 82' ' ' LEU . 89.5 m -71.78 135.58 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.513 ' O ' HD12 ' A' ' 82' ' ' LEU . 5.1 mmt -132.89 137.06 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.739 HD23 HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -114.61 127.46 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 103' ' ' LEU . 21.5 mt -111.59 114.43 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HG3' HD12 ' A' ' 103' ' ' LEU . 61.1 mtt180 -108.08 113.93 27.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.673 HG23 ' HD3' ' A' ' 18' ' ' LYS . 9.9 p -92.95 162.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 106' ' ' VAL . 9.2 ttmm -60.45 -48.88 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 127.95 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -46.22 -52.44 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.2 pt-20 -39.71 -38.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 106' ' ' VAL . 7.4 t0 -63.68 -50.96 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.69 -53.61 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -42.13 -58.54 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -53.75 -50.82 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 HG21 ' A' ' 81' ' ' VAL . 7.6 tp -51.02 -46.24 61.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 18.1 t-80 -66.42 -49.86 65.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -54.93 -57.54 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 119' ' ' LEU . 83.5 mt -53.47 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 118' ' ' ILE . 16.0 mt -32.92 -41.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.14 -60.24 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -39.4 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.688 ' HD3' HG21 ' A' ' 48' ' ' THR . 9.4 mmpt? -53.42 -43.69 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.481 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 45.4 mttp -44.27 -51.77 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -78.71 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.798 0.332 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 35.5 p90 -71.63 -46.99 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' HE2' HD13 ' A' ' 115' ' ' LEU . 49.7 t80 -97.03 105.78 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -121.15 118.29 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 127.57 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.91 135.92 53.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -162.82 169.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 104' ' ' ILE . 4.6 mtmp? -109.09 160.47 16.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.47 134.38 55.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.89 148.96 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 5.6 p90 -130.66 153.95 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -92.21 114.78 27.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mtmt -142.27 126.75 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 60.14 38.34 20.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 61.47 42.76 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -157.98 149.3 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -102.02 116.02 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 22.9 mmtm -105.51 157.59 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -89.58 113.67 25.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -66.11 -42.65 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.71 140.22 2.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 21' ' ' LYS . 43.0 mt -77.85 128.49 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.61 -153.79 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -130.95 141.96 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.776 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -93.97 134.43 36.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.1 m-70 -134.84 113.33 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 mt -95.8 114.45 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HE2' HD23 ' A' ' 51' ' ' LEU . 2.7 mtmp? -115.02 134.45 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.22 17.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.453 HG22 ' HB2' ' A' ' 49' ' ' GLN . 17.6 p -87.27 157.1 19.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.01 -34.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 24.5 m120 -92.91 -178.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.05 12.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HB3' HD11 ' A' ' 66' ' ' LEU . 7.9 mmpt? -88.45 178.5 6.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.6 m -129.73 128.92 43.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' THR . 50.4 tt0 -90.54 140.91 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.76 110.68 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD23 ' HE2' ' A' ' 41' ' ' LYS . 25.1 tp -129.66 136.18 49.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 HD23 ' A' ' 38' ' ' LEU . 95.7 t -131.71 115.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -86.36 143.99 27.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -88.56 151.64 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.748 0.309 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -90.6 124.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.75 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 50.2 mt -87.58 -51.76 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.53 125.13 9.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -130.08 107.11 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 86' ' ' VAL . 35.1 m -150.59 165.34 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 48' ' ' THR . 33.2 tp -96.27 139.73 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.623 HD12 ' HB ' ' A' ' 48' ' ' THR . 47.5 mt -73.43 118.17 66.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 170.15 17.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.329 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 123' ' ' LYS . 54.1 Cg_endo -69.78 -37.36 9.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -129.38 114.56 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 ttp -133.24 133.58 23.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.557 0.694 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.94 16.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 137.78 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.41 138.83 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 tpt85 -101.01 136.81 40.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -150.32 167.47 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.71 178.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -54.95 -48.25 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.479 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -147.63 102.03 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -150.75 165.47 33.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 115' ' ' LEU . 92.0 t -148.44 101.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 101' ' ' THR . 0.9 OUTLIER -91.25 129.85 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 82' ' ' LEU . 25.5 pt -151.28 145.12 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.69 122.16 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -155.48 161.7 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' HG11 ' A' ' 65' ' ' VAL . 91.2 t -76.65 115.21 45.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.1 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 47.1 m-20 -124.62 118.32 26.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 54.6 Cg_endo -69.71 166.01 75.02 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.384 -0.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.19 4.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.0 mt -57.37 -44.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.95 162.63 12.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.19 -37.41 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -40.8 -44.9 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.81 102.89 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.6 -43.09 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 t -52.06 -28.75 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.5 mtp -86.53 132.11 43.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 165.72 30.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.433 HG22 ' HD3' ' A' ' 87' ' ' PRO . 14.4 m -127.25 158.59 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HD21 ' A' ' 82' ' ' LEU . 88.2 m -71.9 115.5 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.6 mtp -114.41 150.18 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 104' ' ' ILE . 5.7 tt -144.71 142.67 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.522 ' N ' HD23 ' A' ' 103' ' ' LEU . 23.7 mt -120.01 143.57 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -118.76 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 31.6 m -100.76 179.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -82.62 -57.19 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -107.65 146.75 31.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.9 p -51.19 -54.73 22.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -43.06 -32.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.8 t0 -62.07 -52.11 65.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . . . -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.06 -46.36 78.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.33 -64.0 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 81' ' ' VAL . 6.1 tp -53.85 -41.12 67.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.4 ' CE1' HD11 ' A' ' 120' ' ' LEU . 6.0 t-80 -54.94 -44.01 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -73.81 -54.46 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.2 mt -46.95 -46.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.45 -42.95 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 116' ' ' HIS . 54.9 mt -65.98 -31.24 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -80.03 -34.72 38.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.52 -48.85 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 27.4 pttt -47.51 -36.24 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -84.59 -44.28 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p90 -79.74 -40.64 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 64.3 t80 -98.45 128.37 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.9 p -138.96 118.66 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 136.84 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -79.12 142.48 36.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -165.88 168.44 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HD3' ' CD ' ' A' ' 32' ' ' GLU . 1.8 ttmp? -102.92 138.33 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.47 146.43 27.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 82.1 m-85 -146.65 129.18 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -110.29 149.64 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -90.03 112.52 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -136.92 131.7 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 57.97 39.04 26.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 t30 61.18 42.81 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -156.58 154.53 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.4 m-85 -96.97 111.05 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -104.92 151.96 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 11.7 tt0 -81.0 125.63 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -81.8 -43.09 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.9 136.98 2.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.39 140.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.18 -154.46 12.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.9 m -131.59 139.06 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.849 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -92.8 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.805 ' N ' HD13 ' A' ' 38' ' ' LEU . 92.9 m-70 -133.87 127.47 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 49' ' ' GLN . 12.1 mt -107.4 108.2 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.7 132.36 21.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 132.41 23.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 49' ' ' GLN . 5.4 p -86.66 162.67 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -97.69 179.2 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.59 -3.21 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.7 mttm -68.77 173.88 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 66' ' ' LEU . 63.3 m -131.01 128.61 40.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.573 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.1 tt0 -91.27 147.54 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.599 ' CD2' HD21 ' A' ' 38' ' ' LEU . 1.4 tm? -122.9 117.09 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 22.3 tp -135.26 152.84 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 92.2 t -137.71 126.96 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -93.21 126.94 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.97 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -81.55 159.46 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -78.94 120.2 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.97 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 21.0 mt -83.16 -55.92 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' CD1' ' H ' ' A' ' 88' ' ' ASN . 42.4 tp -149.1 133.46 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -143.61 104.58 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.683 HG11 ' O ' ' A' ' 86' ' ' VAL . 17.8 m -144.73 175.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' THR . 47.0 tp -110.17 133.89 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' A' ' 48' ' ' THR . 96.9 mt -63.87 117.38 35.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.18 24.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -126.84 106.32 9.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -132.23 127.46 20.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.482 ' CG ' ' HB ' ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.77 127.17 14.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.415 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.9 p -113.09 122.78 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.91 147.3 32.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -117.9 148.16 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 t -150.54 166.71 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.07 -176.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -59.06 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -139.43 101.99 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -150.22 169.89 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.0 t -149.09 107.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.765 HD11 HG23 ' A' ' 101' ' ' THR . 4.6 tp -96.68 128.35 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 pt -150.68 134.77 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.482 ' HB ' ' CG ' ' A' ' 72' ' ' PRO . 97.8 t -96.89 118.34 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.94 162.68 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.683 ' O ' HG11 ' A' ' 65' ' ' VAL . 76.3 t -77.68 118.35 71.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 13.9 t-20 -128.79 117.76 19.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.76 167.41 71.12 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.63 68.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.97 -41.51 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.83 168.19 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -97.19 -33.27 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -82.26 -54.02 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.46 12.93 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.75 -63.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.7 p -52.0 -45.44 64.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.412 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 24.4 ttm -69.27 138.47 89.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.523 0.678 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 53.9 Cg_endo -69.71 162.93 40.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.61 160.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.765 HG23 HD11 ' A' ' 82' ' ' LEU . 99.6 m -75.81 131.86 40.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 mtp -126.18 124.06 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -113.34 118.45 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.57 129.02 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -106.35 122.94 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 79' ' ' ASN . 29.5 m -110.4 178.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -78.36 -68.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.85 155.2 18.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ASP . 32.6 t -63.32 -49.37 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 34.3 t0 -75.87 -49.98 16.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.46 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 75' ' ' ARG . 30.3 t70 -64.42 -54.5 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -66.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.4 tp -47.28 -62.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 3.7 t-80 -47.01 -46.7 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -60.77 -40.23 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -50.59 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.5 -36.63 84.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 120' ' ' LEU . 1.9 tp -70.48 -49.68 45.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.96 -50.87 53.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 2.6 pttp -67.51 -29.78 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 26.4 t0 -63.38 -56.29 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.7 p90 -85.42 -44.39 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 90.4 t80 -98.72 123.03 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -138.98 110.62 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -140.99 137.34 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -76.64 138.35 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.3 p -168.07 177.89 5.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 1.1 ttmp? -124.69 134.24 52.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.771 HD23 HD11 ' A' ' 104' ' ' ILE . 10.3 mt -83.46 160.34 21.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 78.4 m-85 -154.04 130.1 10.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 22.2 p90 -124.0 147.92 47.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -85.5 115.87 23.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -139.01 120.26 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 63.9 39.4 8.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.5 m120 61.93 37.27 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -150.1 152.71 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -93.26 112.86 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 9.4 mmmt -113.92 111.46 21.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 4.1 pt-20 -61.14 116.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -53.1 -33.66 53.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.85 166.96 14.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 55' ' ' ASP . 50.8 mt -86.16 138.02 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.83 -165.74 33.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -126.45 141.07 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.5 tm? -90.36 137.83 32.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.798 ' N ' HD13 ' A' ' 38' ' ' LEU . 31.6 m-70 -140.03 129.23 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 50' ' ' LEU . 57.3 mt -113.09 133.03 55.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -143.51 143.12 22.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 0.0 110.937 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.07 68.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 p -108.7 172.0 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.61 71.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -80.58 14.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 62.21 34.78 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.5 mmtt -112.37 175.39 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' HD12 ' A' ' 66' ' ' LEU . 25.7 m -113.25 107.84 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.68 145.76 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 40' ' ' LEU . 8.0 tt -103.32 143.14 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 6.1 tp -146.72 134.72 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HD23 ' A' ' 38' ' ' LEU . 79.2 t -128.6 116.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -95.43 146.39 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.39 150.93 44.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.541 ' HB2' HG22 ' A' ' 35' ' ' ILE . 26.1 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.17 121.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.77 -43.52 13.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 88' ' ' ASN . 23.4 tp -154.07 117.91 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -128.84 112.09 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.0 m -152.56 166.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 48' ' ' THR . 30.0 tp -100.72 151.92 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 81.7 mt -81.62 112.67 36.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.76 169.47 18.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.337 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -32.51 18.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -123.62 106.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.4 ttp -133.54 118.54 14.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 135.1 29.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 29.7 p -115.67 137.23 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.3 p -140.41 102.61 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -76.34 114.66 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 154.78 32.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.48 -160.62 17.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.43 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -96.31 -46.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 51.8 p-10 -117.8 17.96 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.828 ' HB3' HD21 ' A' ' 103' ' ' LEU . 67.2 m-80 -101.99 148.2 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -136.09 108.95 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 101' ' ' THR . 9.0 mt -91.48 129.34 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 pt -141.6 153.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.61 115.56 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.36 153.37 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.485 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.8 t -71.76 120.33 79.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.54 17.77 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.49 ' H ' HD12 ' A' ' 63' ' ' LEU . 5.0 m120 -131.57 116.01 16.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.78 75.83 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.345 -0.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 149.38 66.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.4 mt -97.57 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.09 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.53 -37.98 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -66.13 -27.47 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 25.2 m-80 -154.5 102.08 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.76 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.5 m -49.74 -40.34 40.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.1 mmm -76.76 136.58 66.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.82 55.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.99 160.41 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.452 ' CG2' HD22 ' A' ' 82' ' ' LEU . 56.8 m -69.14 133.11 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.2 mtp -132.34 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 80' ' ' ASN . 3.6 tt -132.0 150.05 52.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.771 HD11 HD23 ' A' ' 22' ' ' LEU . 18.9 mm -131.87 126.31 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -115.75 101.99 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.606 HG11 ' N ' ' A' ' 112' ' ' ALA . 10.4 p -82.92 164.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.536 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.2 tmtt? -44.49 -68.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.529 HG23 ' CG ' ' A' ' 110' ' ' GLU . 8.8 t -114.24 134.25 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 87.7 p -41.0 -54.45 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.6 pt-20 -38.03 -38.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.506 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 14.0 m-20 -69.22 -43.71 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.606 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -47.76 -52.22 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -46.9 -49.23 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.12 -44.67 96.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.17 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.615 ' CE1' HD21 ' A' ' 120' ' ' LEU . 9.1 t-80 -55.28 -50.71 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -40.73 -58.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.54 -66.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.68 ' H ' HD12 ' A' ' 119' ' ' LEU . 7.1 mp -40.95 -56.27 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 116' ' ' HIS . 4.1 mm? -47.62 -37.91 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -76.74 -52.65 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -50.76 -48.32 59.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 9.6 pttp -61.1 -44.07 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 83.6 m-20 -48.68 -48.16 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 32.3 p90 -81.42 -42.01 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -108.57 108.23 19.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -130.54 110.43 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -145.08 140.29 27.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HA ' HG23 ' A' ' 37' ' ' THR . 15.7 ptpt -70.78 139.61 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -166.25 166.34 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 35' ' ' ILE . 41.7 mttt -98.23 168.82 10.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 52' ' ' VAL . 11.6 mt -137.01 131.31 32.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 50.2 m-85 -132.53 144.8 50.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 46.4 p90 -126.74 147.82 49.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -86.56 115.12 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -137.79 125.31 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 54.91 39.54 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 62.82 45.46 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -155.38 155.08 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -105.21 111.54 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 11.6 mmmm -108.04 124.82 50.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 36.6 tt0 -60.85 106.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.32 -47.63 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.37 135.54 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' LYS . 13.7 mm -64.99 143.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.78 -160.54 29.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 19' ' ' LYS . 7.8 m -129.11 144.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -100.75 137.91 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.632 ' N ' HD13 ' A' ' 38' ' ' LEU . 13.6 m80 -134.38 121.22 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HG ' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -96.94 117.74 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -144.42 142.29 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.45 63.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 45' ' ' ASN . 12.9 t -112.01 159.87 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 43' ' ' THR . 12.8 m120 -82.24 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 49.56 32.02 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -125.97 163.93 21.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -80.96 113.09 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' A' ' 66' ' ' LEU . 27.6 tt0 -101.22 121.27 41.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.3 tp -85.76 134.86 33.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -142.58 120.51 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 22' ' ' LEU . 87.3 t -114.98 115.53 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -99.31 131.77 45.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 142.82 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 19.5 p30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 116.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 62' ' ' LEU . 12.6 mt -91.98 -50.56 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -153.59 112.59 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -121.74 111.96 17.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.2 m -151.63 171.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 49' ' ' GLN . 15.5 mt -112.63 145.62 40.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -81.3 111.43 24.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.252 . . . . 0.0 112.33 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.46 32.01 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -126.53 102.99 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttp -145.87 121.01 5.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.12 34.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 55.8 m -117.25 134.15 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.8 104.6 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.422 ' CD ' HG22 ' A' ' 81' ' ' VAL . 2.4 mmm180 -85.58 114.96 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.714 HG23 ' HB2' ' A' ' 80' ' ' ASN . 2.3 t -107.18 155.17 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.05 -146.73 9.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -114.69 -31.84 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -117.98 14.82 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' A' ' 76' ' ' THR . 51.5 m-20 -112.42 148.13 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.8 t -138.78 118.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 83' ' ' ILE . 10.4 tp -103.51 139.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' LEU . 20.2 pt -155.63 151.0 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.62 120.48 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 p -155.55 156.75 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.39 116.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.81 130.83 19.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.407 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 5.8 m-20 -123.11 116.04 28.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.81 78.35 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.346 -0.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.88 46.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.47 HG22 ' OD1' ' A' ' 92' ' ' ASP . 36.0 mm -53.84 -45.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' OD1' HG22 ' A' ' 91' ' ' ILE . 8.8 m-20 -142.83 166.48 24.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 55.2 mm-40 -76.04 -40.58 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -60.73 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.78 13.1 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -51.35 -53.18 38.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 78.6 p -63.18 -42.28 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 28.5 mtp -76.59 134.38 69.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.437 HG22 ' HD3' ' A' ' 87' ' ' PRO . 9.3 m -130.45 157.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.3 m -71.82 114.88 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.3 mmt -115.44 130.87 57.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 104' ' ' ILE . 2.9 tt -115.78 146.74 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.673 ' N ' HD23 ' A' ' 103' ' ' LEU . 4.7 mp -120.99 122.92 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -110.37 109.14 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.27 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.11 -50.03 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.0 p -113.5 132.15 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -48.16 -52.44 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.94 -38.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -60.71 -57.88 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.28 -42.26 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.13 -48.5 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LYS . 6.2 tp10 -62.85 -61.18 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 27.5 tp -37.65 -48.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.89 ' O ' HD23 ' A' ' 120' ' ' LEU . 11.0 t-80 -57.53 -43.54 84.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' GLU . 32.9 mmtt -52.17 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.6 mp -54.81 -60.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -39.29 -42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 40.6 mt-10 -77.94 -30.5 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -78.83 11.79 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 123' ' ' LYS . 2.8 pttp -137.65 113.37 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t0 62.06 34.44 16.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -87.54 125.47 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 169.15 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -95.61 140.48 30.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -155.98 138.75 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -53.65 -56.14 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.12 129.8 38.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 21.2 p90 -78.62 -42.22 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -110.08 106.81 16.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -129.51 117.82 21.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' C ' HG23 ' A' ' 37' ' ' THR . 31.7 tptt -150.78 145.19 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -74.84 141.64 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 p -164.23 171.52 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 27.1 mttp -117.91 134.93 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.32 147.67 22.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 67.2 m-85 -153.12 123.27 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 8.2 p90 -104.14 154.47 19.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -92.56 118.2 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 91' ' ' ILE . 8.6 mtpm? -140.55 115.83 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.2 t70 66.59 43.95 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 58.55 41.19 22.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.34 160.78 41.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.26 127.0 54.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mmtt -118.36 131.68 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 14.6 tt0 -65.19 110.95 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -67.94 -43.92 77.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.87 127.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 mt -64.5 132.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . -170.76 -171.12 35.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 18' ' ' LYS . 31.2 m -121.45 135.89 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 38' ' ' LEU . 1.2 tt -82.67 138.71 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -130.47 107.73 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mt -96.51 119.13 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.99 150.86 50.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 147.82 64.18 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 47' ' ' LYS . 14.7 t -112.58 171.33 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.82 -44.34 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -81.73 178.04 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.57 7.22 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 43' ' ' THR . 28.4 mmtp -94.81 168.45 10.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.696 ' HB ' HD12 ' A' ' 67' ' ' ILE . 32.9 m -104.18 133.67 48.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HA ' HD23 ' A' ' 66' ' ' LEU . 4.4 tt0 -95.64 129.49 42.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.5 tm? -99.37 124.69 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.3 tp -136.32 146.95 47.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.8 t -137.43 116.89 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -92.67 142.39 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.98 134.07 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 13.3 t0 -63.6 -46.49 85.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -53.9 159.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -42.94 -49.34 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -56.87 113.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.88 76.0 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -107.64 143.7 35.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -71.29 120.05 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.33 -50.15 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 88' ' ' ASN . 14.3 tp -149.75 118.37 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -127.64 103.77 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.672 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.7 m -140.55 175.35 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 49' ' ' GLN . 12.5 mt -113.73 122.24 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' A' ' 48' ' ' THR . 83.5 mt -54.08 108.72 1.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 168.49 21.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.31 11.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -113.8 106.96 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -144.44 118.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.51 0.671 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.14 67.97 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.403 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 28.0 p -120.33 140.64 50.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -142.59 106.02 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 2.2 mmm180 -93.51 112.69 24.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 80' ' ' ASN . 3.8 t -108.13 157.15 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.04 -145.71 20.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 2.5 ptpp? -115.85 -35.43 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 17.5 p-10 -117.96 16.53 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 76' ' ' THR . 29.3 m120 -110.2 151.21 27.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG22 ' CD ' ' A' ' 75' ' ' ARG . 45.6 t -145.55 135.49 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 102' ' ' MET . 3.6 mt -121.51 146.3 47.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 pt -153.18 145.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.72 117.19 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.4 p -154.73 160.99 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.672 ' O ' HG11 ' A' ' 65' ' ' VAL . 87.4 t -80.22 116.28 60.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.544 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 m-20 -127.68 117.2 21.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.76 155.62 93.16 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.87 31.62 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.554 HG21 ' HD2' ' A' ' 26' ' ' LYS . 15.7 mt -76.08 -43.59 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -94.51 146.0 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -88.63 -37.01 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -79.46 -44.75 20.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.15 7.8 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.7 -64.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.5 p -50.41 -47.17 56.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 136.36 83.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.77 26.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.57 157.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.609 ' CG2' HD22 ' A' ' 82' ' ' LEU . 55.6 m -73.31 127.15 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.634 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.0 mmt -125.17 138.0 54.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 tt -121.35 135.74 55.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.26 116.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -101.28 113.42 26.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.22 177.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -83.37 -47.09 11.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.0 124.33 51.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -45.88 -21.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.72 -44.44 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -59.05 -40.04 83.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.82 -62.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -45.89 -55.84 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HG3' HD11 ' A' ' 118' ' ' ILE . 3.5 tp10 -52.82 -48.58 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.24 -45.48 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.478 ' HA ' HD12 ' A' ' 119' ' ' LEU . 31.3 t-80 -66.77 -46.0 76.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -56.43 -58.51 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 114' ' ' GLU . 31.8 mt -45.19 -55.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 116' ' ' HIS . 36.9 mt -43.93 -55.82 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 116' ' ' HIS . 19.3 mt -47.28 -46.14 24.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.86 -44.51 80.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -57.22 -46.12 83.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -71.51 -23.82 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.06 -52.51 65.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 9' ' ' VAL . 9.3 p -106.66 17.15 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.44 128.64 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -80.3 2.58 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -143.47 152.95 42.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.85 -44.1 17.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.1 118.73 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 40.4 p90 -58.4 -46.65 86.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -102.11 126.13 48.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -140.72 110.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -142.59 128.21 19.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 140.56 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -165.89 172.7 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -105.9 157.94 17.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -120.86 137.24 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 70.8 m-85 -140.99 150.33 42.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 4.9 p90 -135.0 158.71 43.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -88.27 111.54 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -141.47 123.07 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 60.86 39.0 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 58.51 45.47 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -159.14 153.89 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -98.65 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 28.7 mmtp -101.0 142.33 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 12.7 tt0 -78.38 114.99 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.57 -42.94 86.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.37 125.86 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 36' ' ' GLY . 11.6 mt -65.3 153.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . 173.3 -157.27 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.8 m -126.05 134.94 51.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.0 tm? -87.83 137.99 31.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.828 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.4 m-70 -137.12 113.05 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HD12 ' A' ' 50' ' ' LEU . 10.8 mt -92.41 120.01 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -128.62 137.96 32.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.97 62.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.407 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 47' ' ' LYS . 10.7 t -110.5 162.31 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.09 -46.32 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -74.67 177.65 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -79.53 9.82 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 43' ' ' THR . 72.5 mmtt -95.87 172.96 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.467 HG21 HD22 ' A' ' 40' ' ' LEU . 92.9 m -112.85 140.27 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.59 113.59 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 40' ' ' LEU . 4.5 tp -85.73 136.9 33.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.5 tp -140.65 128.95 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.575 HG22 HD23 ' A' ' 38' ' ' LEU . 79.7 t -119.73 111.92 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HD3' ' NE2' ' A' ' 39' ' ' HIS . 8.5 ptm180 -93.05 142.2 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.19 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 5.8 t70 -60.23 -43.16 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -52.22 145.41 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -45.28 -39.64 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 58' ' ' LEU . 6.4 tt -61.35 106.84 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.83 114.39 4.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 12.2 p-10 -135.42 164.03 28.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -92.68 112.94 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.46 -44.54 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 tp -157.75 119.08 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -125.42 120.88 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -152.75 163.72 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 48' ' ' THR . 14.7 mt -109.26 122.49 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.59 112.97 5.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.94 17.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -27.25 26.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -129.14 106.87 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttp -137.45 131.25 17.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.429 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.6 p -128.33 129.55 46.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.13 119.37 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 1.9 mmm180 -96.8 110.94 23.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.441 HG23 ' CB ' ' A' ' 80' ' ' ASN . 10.7 t -108.53 166.58 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.25 -153.8 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -97.25 -50.14 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' CB ' HG23 ' A' ' 76' ' ' THR . 72.3 m-20 -95.33 143.48 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -134.99 122.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 HD12 ' A' ' 103' ' ' LEU . 10.3 tp -103.34 136.96 42.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.0 pt -146.11 146.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 99' ' ' PRO . 7.4 t -110.88 116.7 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.5 m -153.05 154.22 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.6 111.57 20.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.477 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.79 134.9 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.45 114.75 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 170.0 60.3 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.335 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.23 -37.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -134.52 145.36 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 15.3 pt-20 -84.49 -23.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -47.8 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.25 17.55 23.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -48.38 -67.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 96' ' ' ALA . 38.6 p -36.92 -48.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.7 160.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.4 Cg_endo -69.74 164.83 33.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.1 p -110.59 151.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -89.67 110.33 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.408 ' HG3' HG13 ' A' ' 100' ' ' VAL . 10.3 mtp -116.22 150.88 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 82' ' ' LEU . 4.5 tt -128.05 132.57 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.3 mt -101.09 143.74 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -132.08 117.13 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.86 177.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -71.15 -65.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 3.2 t -113.86 144.48 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 112' ' ' ALA . 9.4 t -45.1 -51.91 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 4.8 pt-20 -41.18 -32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 79.7 m-20 -71.22 -44.43 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -57.26 -51.52 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -46.92 -60.54 2.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.3 -43.48 61.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' HIS . 29.3 tp -58.92 -67.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 8.1 t-80 -36.5 -58.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' HIS . 28.9 tttp -37.02 -66.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.4 mt -37.09 -59.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.684 ' H ' HD12 ' A' ' 119' ' ' LEU . 6.8 mp -43.93 -38.62 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 123' ' ' LYS . 4.0 mm? -76.38 -40.96 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.29 -23.92 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -93.6 -46.22 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -59.44 -28.58 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.59 -49.47 68.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' VAL . 27.2 m -61.87 124.29 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 169.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -109.34 13.98 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.24 137.16 52.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -51.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -75.91 114.56 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 17.0 p90 -56.21 -49.25 74.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -98.7 118.7 36.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -133.49 109.19 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.34 136.8 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.73 139.1 43.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -163.64 166.22 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 11.6 mtmm -113.65 136.55 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.85 146.54 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 83.9 m-85 -152.28 126.88 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 28.9 p90 -107.0 160.09 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -92.58 115.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -135.93 121.67 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.36 40.55 24.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.42 41.35 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -152.8 161.64 42.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -101.4 112.12 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 4.2 mmpt? -105.01 134.48 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 6.3 tt0 -62.83 130.4 44.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -94.6 -43.45 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.62 121.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.77 133.9 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.4 -152.12 8.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -131.15 149.38 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -96.44 142.79 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 59.2 m-70 -142.95 126.63 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.1 mt -103.48 128.43 50.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -121.26 135.75 25.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.96 18.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 24.6 p -92.22 153.0 19.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -32.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' THR . 7.8 m-20 -94.46 -179.32 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -73.15 6.07 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.676 ' HD2' HD21 ' A' ' 66' ' ' LEU . 51.6 mttt -83.01 173.25 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.874 ' O ' HD12 ' A' ' 66' ' ' LEU . 70.1 m -131.36 121.8 25.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 tt0 -91.11 153.46 20.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.5 tt -121.48 141.69 50.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 tp -143.27 143.52 31.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.67 123.2 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -97.6 127.47 43.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 177.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -88.05 17.84 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 59' ' ' GLY . 15.2 t -97.28 148.94 22.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 1.6 t-20 -68.14 -48.54 65.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tp -49.72 -47.42 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.739 ' H ' HG23 ' A' ' 56' ' ' THR . . . 104.24 117.95 4.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -140.1 129.12 23.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.17 121.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.3 mt -93.0 -50.56 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -146.62 125.27 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -133.68 102.29 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 86' ' ' VAL . 15.6 m -139.15 150.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 48' ' ' THR . 29.3 tp -95.48 133.94 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 ' HB ' ' A' ' 48' ' ' THR . 61.5 mt -61.82 110.94 3.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 170.08 17.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.87 31.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -146.5 123.02 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 ttp -152.23 119.58 3.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 133.16 24.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.55 134.5 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -140.38 122.89 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -91.82 131.25 37.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.1 t -140.62 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.86 -165.91 6.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -83.69 -55.81 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 26.6 p30 -117.86 17.92 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.596 ' HB3' HD11 ' A' ' 103' ' ' LEU . 11.0 m-20 -93.19 153.73 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.2 t -141.93 124.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 102' ' ' MET . 9.2 mt -100.39 124.77 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 pt -138.1 140.21 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.5 116.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.44 158.2 38.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.697 ' O ' HG11 ' A' ' 65' ' ' VAL . 86.0 t -77.17 121.3 84.39 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.81 41.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -144.2 113.37 5.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 170.09 60.24 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.321 -0.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.91 55.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.4 mt -87.88 -43.38 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.95 161.23 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -102.99 -37.44 7.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -37.78 -43.76 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -154.91 102.65 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.04 -51.61 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -40.57 -40.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtp -80.09 140.34 53.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 172.36 12.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.12 156.24 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.455 ' CG2' HD22 ' A' ' 82' ' ' LEU . 69.3 m -69.52 135.64 50.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.596 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.3 mmt -127.99 149.48 50.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 80' ' ' ASN . 1.2 tm? -130.99 118.7 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 103' ' ' LEU . 45.7 mt -103.08 120.74 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 105' ' ' ARG . 4.6 tmt_? -110.04 107.89 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 34.9 m -89.46 172.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -70.08 -40.59 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.6 p -132.24 139.62 48.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 33.4 t -50.44 -50.81 51.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.6 pt-20 -43.16 -39.27 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 10.2 m-20 -65.52 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.33 93.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -49.27 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.52 -49.47 75.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.3 -43.42 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.625 ' O ' HD23 ' A' ' 120' ' ' LEU . 26.6 t-80 -64.53 -43.94 92.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -59.58 -51.13 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.4 mt -53.62 -57.85 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.32 -38.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -74.64 -43.65 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.07 -48.56 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -78.15 9.77 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.494 ' CE ' HD13 ' A' ' 120' ' ' LEU . 11.2 ttpp -130.81 101.97 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t70 62.88 42.15 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.38 139.99 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -143.5 115.1 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.17 -2.59 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.26 144.51 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -42.19 -48.84 4.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.14 137.59 32.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.6 p90 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 17.2 t80 -86.81 121.39 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.1 p -141.79 115.91 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' C ' HG23 ' A' ' 37' ' ' THR . 14.1 tppt? -152.88 129.37 10.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -61.76 142.66 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.63 177.54 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.2 mtmt -112.52 160.19 18.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -118.06 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 56.7 m-85 -149.44 145.8 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 2.8 p90 -129.34 153.07 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -84.91 107.16 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 50.4 mttp -142.03 137.69 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 55.27 36.32 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 56.93 35.1 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -154.26 142.93 20.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -83.66 112.14 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 31.3 mttp -105.17 164.9 11.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 35' ' ' ILE . 22.0 tt0 -96.08 124.9 40.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 24' ' ' TYR . 37.3 tttt -88.87 -44.6 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.63 137.64 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' A' ' 21' ' ' LYS . 28.8 mm -80.68 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 55' ' ' ASP . . . 171.9 -156.62 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 18' ' ' LYS . 25.2 m -129.84 146.69 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.4 tt -92.81 139.24 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -141.8 124.8 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 50' ' ' LEU . 67.4 mt -107.4 128.13 54.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -128.54 133.45 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.95 18.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 23.3 p -80.09 158.04 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.23 -27.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 3.1 m120 -102.52 -179.0 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.19 2.65 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -78.51 174.14 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 67' ' ' ILE . 98.1 m -131.33 134.34 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 14.6 tt0 -114.74 143.26 45.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 51' ' ' LEU . 9.0 tt -103.13 145.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 40.9 tp -144.71 147.2 32.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.2 t -138.62 129.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -100.93 146.82 26.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.67 167.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' HB2' HG22 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -101.87 -32.18 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -80.9 16.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m120 62.31 47.93 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 59' ' ' GLY . 10.0 tt -111.92 140.26 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' HD23 ' A' ' 58' ' ' LEU . . . -73.97 80.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -155.93 151.13 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.2 mt -98.74 117.68 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.01 -49.9 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 tp -150.45 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 64' ' ' ASN . 19.2 t-20 -137.43 104.39 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 32.0 m -146.46 177.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mt -107.39 148.26 29.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 48' ' ' THR . 88.1 mt -60.34 121.69 61.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.66 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 54.0 Cg_endo -69.81 108.14 2.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 2.6 m120 66.3 47.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.734 ' N ' ' HZ3' ' A' ' 123' ' ' LYS . 13.9 tmm? -53.34 122.83 32.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 127.29 14.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 32.1 p -109.81 133.23 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.42 107.04 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 tpt85 -84.12 116.33 22.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -123.43 163.14 21.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.95 12.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -97.98 -50.86 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 46.1 p30 -117.68 17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -93.22 138.81 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.21 104.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD13 HD12 ' A' ' 103' ' ' LEU . 10.2 tp -87.87 144.49 26.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 pt -157.27 151.25 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.74 115.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 p -155.5 152.85 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' O ' HG11 ' A' ' 65' ' ' VAL . 84.2 t -69.34 120.77 79.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.16 6.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 29.0 t30 -119.6 118.37 32.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.04 65.32 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.346 -0.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 104.11 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -49.26 -42.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.98 176.77 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.77 -35.3 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -60.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.09 17.76 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.97 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 p -41.28 -49.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.7 mtp -76.77 144.49 73.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.7 18.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.22 152.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.9 m -69.24 107.71 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.9 mtp -107.53 135.73 48.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.494 HD12 HD13 ' A' ' 82' ' ' LEU . 1.9 tt -115.92 142.41 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.436 ' N ' HD23 ' A' ' 103' ' ' LEU . 18.9 mt -116.15 133.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -121.39 106.94 11.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 111' ' ' ASP . 10.3 p -86.63 168.04 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -66.86 -53.28 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.8 p -120.12 127.33 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' ALA . 47.3 t -42.8 -50.99 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' SER . 6.8 pt-20 -35.91 -41.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 106' ' ' VAL . 16.1 t70 -66.64 -47.43 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -51.95 -53.04 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.98 -54.39 42.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.53 -44.98 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.618 ' HA ' HD12 ' A' ' 119' ' ' LEU . 22.0 t-80 -68.06 -54.65 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -41.74 -66.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 121' ' ' GLU . 39.8 mt -39.75 -61.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 116' ' ' HIS . 16.2 mt -38.61 -55.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 4.2 mm? -54.66 -38.28 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 118' ' ' ILE . 60.3 mm-40 -69.41 -49.34 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -53.9 -48.7 69.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.734 ' HZ3' ' N ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -75.35 -41.16 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 5.0 m-20 -45.63 -54.92 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.63 137.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -122.86 145.74 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -92.2 133.65 35.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -145.41 131.61 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.85 -44.96 67.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 131.72 40.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 122' ' ' LYS . 44.7 p90 -80.73 -47.65 13.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 79.3 t80 -98.33 112.11 24.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.6 p -132.91 116.48 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 137.72 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -71.67 145.2 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -167.51 163.73 14.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' PHE . 11.2 ttmt -95.02 159.22 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 52' ' ' VAL . 13.7 mt -125.76 144.95 50.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 96.4 m-85 -148.96 154.92 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -136.97 141.51 42.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -86.03 103.61 14.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -129.51 122.08 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 63.45 42.11 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 58.21 46.1 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -156.8 154.13 29.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -104.88 107.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -114.9 122.81 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -60.08 144.2 50.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG3' HD22 ' A' ' 62' ' ' LEU . 22.2 tptp -96.12 -30.54 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.69 138.32 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 130.8 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 -153.15 7.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.3 m -132.59 142.35 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HG ' ' A' ' 40' ' ' LEU . 5.6 tt -91.2 143.22 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -138.52 113.28 9.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.572 ' HG ' HD21 ' A' ' 38' ' ' LEU . 29.6 mt -94.57 113.67 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.3 140.44 37.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.544 0.688 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.35 68.86 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 45' ' ' ASN . 10.4 t -118.68 170.74 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.82 -33.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' H ' HG23 ' A' ' 43' ' ' THR . 41.0 t30 -93.54 163.33 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -62.81 -7.77 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -81.77 168.18 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.821 ' O ' HD12 ' A' ' 66' ' ' LEU . 87.2 m -106.86 152.51 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.54 121.65 45.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -84.18 117.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 50' ' ' LEU . 23.5 tp -130.82 125.45 33.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 22' ' ' LEU . 86.9 t -115.19 113.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -92.61 117.23 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -63.2 161.89 12.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 37.9 t0 -111.1 103.99 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.534 HG22 ' HA2' ' A' ' 59' ' ' GLY . 15.3 t -156.81 167.82 29.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 56' ' ' THR . 84.9 m-20 -34.87 -62.15 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.71 -64.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 56' ' ' THR . . . 127.99 151.04 7.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.38 173.39 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.55 127.02 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 19.9 mt -97.37 -44.45 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 88' ' ' ASN . 21.7 tp -155.3 117.63 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -129.56 107.49 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -147.41 171.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 48' ' ' THR . 19.5 tp -113.0 117.24 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' HB ' ' A' ' 48' ' ' THR . 94.6 mt -52.74 109.96 1.71 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.89 17.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.95 22.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -139.74 106.17 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ttp -143.84 113.72 5.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.22 42.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.5 t -124.42 142.79 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.22 114.71 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -81.91 125.37 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 t -131.66 155.08 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.39 -158.07 23.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.63 -50.97 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -114.27 15.68 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -101.39 151.64 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -142.7 120.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 83' ' ' ILE . 12.0 mt -97.61 141.14 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' LEU . 11.8 pt -157.54 142.55 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.9 t -101.0 118.02 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.7 p -155.25 152.1 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.0 111.69 9.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.1 m-20 -120.74 116.61 31.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.0 Cg_endo -69.78 167.18 72.02 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.358 -0.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.36 60.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.67 -42.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.0 p-10 -140.5 176.94 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.98 -34.94 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.81 -62.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -88.99 15.53 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -53.15 -56.54 15.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 t -57.58 -20.42 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.478 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 ttt -95.58 139.98 22.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 54.4 Cg_endo -69.73 161.81 44.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.11 156.16 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 138.59 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.87 138.1 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.71 119.38 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.95 113.14 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -110.03 129.78 55.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 107' ' ' LYS . 6.2 p -98.43 168.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' H ' HG22 ' A' ' 106' ' ' VAL . 28.7 ttpp -61.16 -53.96 50.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 46.1 p -113.26 134.31 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.9 p -47.04 -52.02 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.14 -50.24 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.6 m-20 -52.28 -45.29 65.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -57.48 -47.41 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.09 -40.66 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.7 tp10 -68.64 -53.57 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -44.0 -48.25 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 120' ' ' LEU . 19.7 t-80 -54.25 -48.05 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' LEU . 2.8 mptm? -67.03 -58.8 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 73.2 mt -41.45 -45.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' CE1' ' A' ' 116' ' ' HIS . 93.3 mt -79.38 -26.76 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -80.21 -31.16 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 33.4 mmtm -78.64 -44.19 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -56.47 -33.75 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 125' ' ' ALA . 0.4 OUTLIER -79.19 -45.66 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' O ' HG12 ' A' ' 9' ' ' VAL . 10.3 t -93.37 18.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -81.54 126.73 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.29 131.22 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -144.9 139.09 27.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.24 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -61.57 140.43 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 15.3 p90 -88.9 -45.25 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 47.8 t80 -91.86 118.88 31.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -135.17 121.12 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 139.29 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -69.29 144.96 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -165.28 169.05 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 20.2 mttm -116.4 125.33 51.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.75 127.26 34.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 98.0 m-85 -126.82 125.61 41.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 27.7 p90 -107.8 150.6 26.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 38.9 tptt -97.8 117.64 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -141.05 142.65 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 52.54 33.51 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 65.46 39.68 5.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -100.31 116.95 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 20.2 mmmt -116.06 133.94 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -66.46 130.0 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 30.0 tptt -86.09 -41.98 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.94 134.37 1.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -71.48 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.56 -164.14 21.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -122.76 140.08 53.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.7 tm? -90.54 137.0 32.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.781 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.4 m-70 -135.57 111.78 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 49' ' ' GLN . 11.4 mt -97.05 106.47 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 136.27 19.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.23 20.82 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 18.6 p -88.46 159.75 17.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.02 -32.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 2.5 t-20 -94.59 -178.85 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -75.54 10.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -85.67 178.72 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.642 ' CG2' HD22 ' A' ' 40' ' ' LEU . 31.5 m -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.755 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 tt0 -96.52 149.33 21.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.41 114.11 20.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD13 ' A' ' 50' ' ' LEU . 14.5 tp -134.09 133.91 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG22 HD23 ' A' ' 38' ' ' LEU . 82.7 t -122.77 127.41 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.82 142.34 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 60' ' ' ASN . . . -61.15 170.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.04 -41.55 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -60.23 152.79 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' LEU . 45.7 m-80 -49.04 -48.74 43.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' ASN . 22.8 mt -34.05 -48.36 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 100.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 54' ' ' ALA . 4.2 p30 -143.04 146.45 33.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.82 125.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.19 -46.55 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -155.18 115.17 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -125.19 102.39 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 86' ' ' VAL . 21.6 m -140.06 147.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 48' ' ' THR . 47.8 tp -87.77 131.36 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' A' ' 48' ' ' THR . 89.6 mt -63.97 112.01 6.56 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.89 17.88 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -5.5 16.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.84 117.7 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttt -147.14 119.56 4.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.56 19.56 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 9.0 m -112.28 146.19 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.405 ' CB ' ' HB3' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -143.81 117.71 9.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -85.58 127.62 34.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -140.82 139.65 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.33 -148.39 50.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -117.69 -37.99 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -117.91 17.94 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HB3' HD21 ' A' ' 103' ' ' LEU . 14.1 m-80 -115.54 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.69 109.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -86.82 124.4 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.8 pt -152.1 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 99' ' ' PRO . 19.5 t -116.72 126.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 p -155.35 147.72 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' O ' HG11 ' A' ' 65' ' ' VAL . 88.1 t -73.85 119.67 77.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.75 123.45 10.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -127.19 115.57 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.21 91.22 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.373 -0.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 144.78 55.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.84 -41.51 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -131.91 120.44 22.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.4 pt-20 -52.73 -25.71 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -54.2 46.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.73 16.32 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -44.26 -50.6 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.7 m -65.76 -43.03 90.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.73 132.38 74.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.7 Cg_endo -69.75 162.89 40.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 87' ' ' PRO . 20.4 m -122.12 159.66 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 82' ' ' LEU . 98.9 m -70.64 103.27 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.82 145.52 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 82' ' ' LEU . 9.3 tt -136.1 146.52 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.579 ' N ' HD23 ' A' ' 103' ' ' LEU . 5.2 mp -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -101.81 120.06 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 112' ' ' ALA . 34.7 m -100.0 166.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -60.95 -62.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 46.1 p -111.97 142.73 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -49.77 -41.06 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.8 pt-20 -51.89 -38.23 55.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 53.5 m-20 -64.36 -41.12 96.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.07 -59.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -44.13 -48.35 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -55.71 -62.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.67 -44.54 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.407 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 10.8 t-80 -63.29 -46.37 87.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -56.89 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLU . 80.2 mt -47.39 -66.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.02 -49.54 3.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.55 -37.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.6 mm-40 -75.09 -41.14 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.43 -45.74 91.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 21.2 pttt -63.01 -37.28 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 5.5 t0 -48.62 -52.56 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.94 133.82 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -113.67 151.57 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -72.27 174.65 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.06 -8.41 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -98.03 -38.86 9.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -110.33 138.34 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 38.9 p90 -78.64 -48.27 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.0 120.04 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 p -139.01 111.84 7.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -146.89 128.48 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' H ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.7 139.66 56.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 p -161.12 162.5 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HG3' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -93.76 173.27 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 52' ' ' VAL . 11.6 mt -139.49 139.54 37.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 53.0 m-85 -151.08 138.47 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 21.6 p90 -118.58 150.7 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -88.58 116.9 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.24 127.69 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 55.96 39.18 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.9 t30 61.15 44.73 9.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -156.72 147.06 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.97 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 27.9 mmtt -94.43 158.66 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -92.36 121.07 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -40.47 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.33 2.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 21' ' ' LYS . 11.0 mm -72.4 149.41 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.93 -157.77 24.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -128.88 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -90.11 139.38 30.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -138.23 122.49 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 37.1 mt -103.67 115.53 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -124.42 144.71 46.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.6 30.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 47' ' ' LYS . 8.1 t -100.27 172.23 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.45 -43.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -91.06 176.59 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.87 2.47 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 43' ' ' THR . 26.1 mtpp -81.12 168.42 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 40' ' ' LEU . 91.6 m -108.14 136.58 47.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' A' ' 66' ' ' LEU . 21.5 tt0 -100.59 117.23 34.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 50' ' ' LEU . 1.1 tm? -81.8 118.3 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.7 141.6 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 22' ' ' LEU . 86.8 t -135.22 113.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.06 135.25 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.91 174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -94.6 -18.36 21.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.15 139.33 39.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' LEU . 69.1 m-80 -42.92 -60.49 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -36.39 -36.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.747 ' O ' HD12 ' A' ' 58' ' ' LEU . . . 62.31 136.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.44 15.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.36 110.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.29 -53.64 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -150.43 120.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.4 105.93 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.57 159.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 49' ' ' GLN . 17.0 mt -98.76 135.26 40.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 119' ' ' LEU . 56.7 mt -67.98 112.32 10.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.5 21.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.14 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.35 109.27 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.2 ttp -143.04 122.19 7.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.21 14.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 72.9 m -114.14 133.8 55.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -137.01 117.34 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -92.08 111.85 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 82' ' ' LEU . 10.6 t -115.25 166.52 11.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.14 -153.13 35.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -97.1 -55.94 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 23.7 p-10 -117.07 17.14 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.01 151.11 21.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.15 105.5 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' CD1' HG21 ' A' ' 76' ' ' THR . 11.0 mt -92.59 139.5 30.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 pt -154.2 166.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 99' ' ' PRO . 3.8 t -118.82 113.09 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.22 146.77 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.15 118.35 60.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.423 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 4.2 m120 -125.46 120.09 24.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.79 161.15 86.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.97 43.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -78.02 -42.41 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.28 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -114.86 -34.3 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -79.47 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -79.76 11.15 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.33 -65.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -43.2 -49.24 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.0 ttt -64.64 133.5 95.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.671 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.79 156.3 63.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.57 152.39 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.501 ' CG2' HD22 ' A' ' 82' ' ' LEU . 7.6 m -68.95 133.73 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' HD23 ' A' ' 82' ' ' LEU . 8.4 mtp -130.81 142.97 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.27 139.23 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.4 mt -127.36 127.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -103.47 115.85 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.628 HG21 ' N ' ' A' ' 112' ' ' ALA . 27.5 m -97.03 177.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -49.52 -61.64 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 p -145.69 168.55 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -47.68 -30.93 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 2.0 tp10 -65.58 -40.98 93.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.17 -36.85 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.628 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.56 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -39.25 -61.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -44.47 -55.35 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.14 -59.11 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 53.7 t-80 -47.54 -64.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -38.3 -66.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.8 mt -37.13 -65.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -44.17 -44.68 7.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.88 -58.92 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.53 -53.48 4.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -67.79 -42.6 81.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' ASP . 13.7 ttpp -44.27 -46.57 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' LYS . 20.2 t0 -37.91 -59.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.909 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 9' ' ' VAL . 9.1 p -117.46 18.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -109.22 141.42 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -86.99 7.21 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.43 140.26 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.17 -61.56 2.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 152.44 44.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 40' ' ' LEU . 43.0 p90 -93.95 -48.75 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 72.5 t80 -95.27 114.14 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -132.85 105.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -141.8 126.17 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 141.24 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -162.26 174.94 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -120.36 141.25 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.31 141.34 29.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -140.38 123.98 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -111.76 153.5 26.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -85.67 114.91 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -134.22 122.51 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.32 40.31 11.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.09 42.65 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -159.46 160.17 34.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -91.8 125.13 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -114.88 163.5 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -92.85 116.7 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -81.67 -43.14 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.31 141.38 3.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -85.76 120.89 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.94 -159.21 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.5 m -125.16 149.84 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 50' ' ' LEU . 10.3 tt -101.07 141.19 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -133.09 142.41 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 50' ' ' LEU . 53.9 mt -131.85 117.51 18.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.32 149.16 66.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.49 45.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -98.36 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.16 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 17.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 58.93 38.36 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HD3' HD21 ' A' ' 66' ' ' LEU . 3.0 mtpm? -119.52 177.76 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.2 m -115.94 108.26 16.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -93.46 138.17 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 40' ' ' LEU . 5.4 tp -97.44 130.36 44.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 tp -140.27 142.17 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -129.21 127.13 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.8 132.3 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.3 171.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -91.81 -48.8 6.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 t -56.61 147.02 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -41.02 -46.89 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.77 104.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.62 132.4 32.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -157.18 140.56 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -81.85 117.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -85.75 -50.93 6.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 88' ' ' ASN . 4.2 tp -151.49 118.67 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -125.25 103.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.7 m -146.61 154.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD21 ' HD3' ' A' ' 47' ' ' LYS . 49.2 tp -95.61 144.73 25.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 70.9 mt -67.94 111.88 9.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.749 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.76 169.67 18.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.19 14.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -123.71 113.34 18.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 ttt -146.34 117.98 4.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.22 53.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.424 ' SG ' HD11 ' A' ' 120' ' ' LEU . 30.0 p -124.51 135.25 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 p -140.32 108.07 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.669 ' NH1' ' HB1' ' A' ' 112' ' ' ALA . 6.6 mmm180 -83.34 115.06 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -116.43 131.65 56.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.51 -150.03 41.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -118.02 -32.94 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.438 ' ND2' ' HE ' ' A' ' 105' ' ' ARG . 4.1 p-10 -117.99 18.0 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 103' ' ' LEU . 61.4 m-20 -127.43 147.47 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.39 118.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 102' ' ' MET . 10.0 mt -91.03 128.55 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.9 pt -140.16 147.95 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.8 t -107.63 111.75 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 76.0 m -150.4 157.37 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.88 117.67 63.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.738 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.1 Cg_endo -69.84 132.23 22.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 t-20 -128.47 114.28 19.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.589 0.709 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.3 Cg_endo -69.79 166.8 73.19 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.312 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.34 53.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.419 HG22 ' OD1' ' A' ' 92' ' ' ASP . 34.1 mm -59.64 -44.21 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.756 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 m-20 -139.75 165.51 27.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.28 -28.61 38.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -73.96 -48.0 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -100.66 17.4 21.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -59.02 -46.07 89.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 84.8 m -63.97 -40.3 96.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.7 mtt -79.61 142.88 58.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 165.79 29.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.429 HG22 ' HD3' ' A' ' 87' ' ' PRO . 5.6 m -128.55 151.72 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.446 ' CG2' HD22 ' A' ' 82' ' ' LEU . 34.0 m -69.05 137.0 53.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.553 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.6 mtt -132.26 150.8 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 80' ' ' ASN . 1.9 tm? -131.85 118.1 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.6 mt -93.0 113.8 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.438 ' HE ' ' ND2' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -100.59 112.23 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.94 164.22 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.98 -51.05 43.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.9 p -110.86 142.59 42.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.2 p -55.76 -46.7 77.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.75 -47.35 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.45 -48.5 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' ' NH1' ' A' ' 75' ' ' ARG . . . -52.56 -56.97 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -46.03 -47.76 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.64 -51.48 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 104' ' ' ILE . 22.0 tp -48.27 -50.05 31.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.675 ' O ' HD23 ' A' ' 120' ' ' LEU . 36.5 t-80 -57.1 -55.23 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.8 -60.7 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' HA ' ' CD ' ' A' ' 121' ' ' GLU . 70.0 mt -48.86 -39.56 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.71 -33.99 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.5 mm? -76.3 -47.68 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.474 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 9.8 pt-20 -64.24 -43.82 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -56.95 -45.24 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -71.69 -34.41 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.1 t70 -49.5 -50.43 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 34.3 m -136.84 128.38 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.43 151.39 22.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -145.23 136.03 24.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.62 176.25 7.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -40.52 -47.19 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -102.79 126.86 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 50.1 p90 -68.72 -46.04 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' A' ' 118' ' ' ILE . 47.8 t80 -98.58 119.02 36.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -132.08 106.22 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -137.42 135.82 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.72 139.86 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.2 p -164.91 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.9 168.57 9.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.65 133.93 44.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.97 151.69 48.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.834 ' CD2' HD13 ' A' ' 91' ' ' ILE . 4.6 p90 -134.19 151.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -87.69 111.82 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -132.2 125.54 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.67 43.69 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 59.29 39.16 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.74 167.39 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.89 123.53 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -118.42 153.16 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -91.37 -41.8 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.42 127.9 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.7 mt -74.8 140.38 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.56 -157.69 13.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.4 m -125.16 134.71 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 39' ' ' HIS . 3.4 tm? -86.1 136.92 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.7 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.7 m-70 -133.17 120.45 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 38' ' ' LEU . 13.3 mt -104.03 134.57 47.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -147.05 134.51 10.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.678 . . . . 0.0 110.907 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.29 53.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.4 p -100.81 166.45 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.13 64.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -83.99 13.42 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.81 36.84 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.4 mtpp -107.57 178.4 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.525 HG22 HD12 ' A' ' 67' ' ' ILE . 24.3 m -121.24 105.17 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -97.59 147.25 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.5 tp -104.81 134.79 47.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -143.73 122.05 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' HD23 ' A' ' 38' ' ' LEU . 81.5 t -119.51 115.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -88.19 137.69 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.06 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.09 -47.03 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.3 t -54.66 156.86 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -41.96 -48.77 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 tp -58.29 114.8 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.64 47.43 2.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.76 126.42 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.18 121.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.98 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.66 117.83 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 20.2 t-20 -125.39 107.49 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.9 m -143.92 152.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 47' ' ' LYS . 21.5 tp -91.63 119.26 31.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.696 HG23 ' SD ' ' A' ' 71' ' ' MET . 94.6 mt -56.44 108.83 1.34 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' MET . 53.8 Cg_endo -69.79 164.68 33.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.6 18.09 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.696 ' SD ' HG23 ' A' ' 67' ' ' ILE . 10.7 ttp -52.09 107.13 0.76 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.588 0.709 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 53.9 Cg_endo -69.77 126.12 12.93 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.664 ' HG ' ' CD2' ' A' ' 116' ' ' HIS . 6.4 t -115.8 136.99 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -134.62 107.46 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -74.93 115.39 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.701 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.5 t -114.63 151.71 33.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.3 -144.42 6.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -117.67 -32.57 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.517 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -118.0 5.58 12.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.701 ' HB2' HG23 ' A' ' 76' ' ' THR . 35.2 m-20 -103.9 152.12 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.7 t -141.92 114.56 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 102' ' ' MET . 11.0 mt -97.92 142.22 29.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' LEU . 22.2 pt -157.4 166.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -119.1 119.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.83 144.99 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.58 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.9 t -69.13 117.52 52.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.2 7.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -126.13 116.5 23.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.08 84.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.344 -0.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.52 42.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.834 HD13 ' CD2' ' A' ' 24' ' ' TYR . 35.3 mt -77.35 -41.27 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.26 153.29 24.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -100.05 -32.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 1.6 mmpt? -45.84 -38.24 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -157.53 103.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.67 -44.2 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -47.6 -27.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.5 ttt -89.26 129.8 46.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.81 20.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 m -130.94 155.8 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.506 ' CG2' HD22 ' A' ' 82' ' ' LEU . 40.3 m -70.6 138.58 50.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.619 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.6 mtp -128.6 149.21 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -127.16 121.56 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.587 ' N ' HD13 ' A' ' 103' ' ' LEU . 57.5 mt -106.2 114.34 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -108.72 109.92 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 107' ' ' LYS . 14.1 p -92.73 161.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.9 tppt? -47.1 -65.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 106' ' ' VAL . 78.5 p -111.57 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.7 p -56.13 -50.94 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.35 -40.17 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 106' ' ' VAL . 9.5 m-20 -59.64 -47.82 84.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.48 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -51.88 -51.46 56.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -38.33 -57.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.8 -54.62 44.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' HG ' ' A' ' 73' ' ' CYS . 51.7 t-80 -52.61 -38.84 60.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -66.84 -57.53 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 16' ' ' TYR . 55.1 mt -42.63 -45.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 116' ' ' HIS . 22.7 mt -56.47 -47.64 78.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 116' ' ' HIS . 82.5 mt -67.29 -65.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.468 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 13.0 pt-20 -41.73 -45.42 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -74.13 -42.78 59.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -42.32 -58.48 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -52.46 -52.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 9' ' ' VAL . 12.5 t -93.15 17.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -132.32 157.06 45.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -93.47 147.26 23.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.88 -7.04 56.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -38.39 -39.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.33 140.67 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.7 p90 -56.97 -41.94 79.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 39.3 t80 -111.18 111.33 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -132.13 118.99 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -154.38 129.37 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -61.48 138.46 58.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 19.7 p -160.06 163.0 34.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -93.45 175.06 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.17 126.37 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 40.4 m-85 -134.45 140.81 46.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 52.3 p90 -123.86 144.74 49.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -87.22 109.39 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -134.25 123.25 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 61.78 41.0 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m120 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -157.07 145.25 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -93.69 119.55 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 mmpt? -112.92 132.86 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -66.26 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -70.2 -42.67 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.51 124.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -62.95 133.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.96 179.66 38.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 m -103.21 128.84 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -85.33 139.48 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.741 ' N ' HD13 ' A' ' 38' ' ' LEU . 20.1 m-70 -139.25 130.03 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 50' ' ' LEU . 90.0 mt -106.3 121.07 43.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -119.47 128.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.03 55.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 p -109.24 162.7 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.51 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -88.01 12.64 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 62.28 32.76 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.859 ' HB3' HD11 ' A' ' 66' ' ' LEU . 29.6 mmtm -108.21 176.05 5.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 66' ' ' LEU . 59.9 m -118.54 111.12 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -97.4 121.01 38.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD21 ' A' ' 40' ' ' LEU . 2.0 tp -80.92 133.49 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.76 112.92 6.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.58 131.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -101.33 138.25 38.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 139.17 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.46 -38.96 82.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -58.59 149.32 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' LEU . 61.1 m-80 -53.28 -47.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mp -36.77 -42.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 124.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.445 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.05 153.41 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.2 119.09 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.74 -48.21 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD12 ' H ' ' A' ' 88' ' ' ASN . 11.8 tp -151.02 113.65 4.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.56 106.39 10.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.7 m -148.9 157.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' ' 47' ' ' LYS . 27.1 tp -98.47 136.63 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 119' ' ' LEU . 85.7 mt -64.48 111.93 6.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.09 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.31 3.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -113.23 114.49 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -153.61 123.95 3.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.52 136.12 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.6 p -142.54 111.18 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.538 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.9 mmm180 -96.24 120.29 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 80' ' ' ASN . 1.7 t -117.37 166.72 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 43.96 -155.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -97.8 -41.04 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -117.47 17.03 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.72 ' CB ' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.62 131.39 46.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.99 110.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.68 132.04 41.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.2 pt -146.41 137.93 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.02 114.82 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -153.65 162.51 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.607 ' O ' HG11 ' A' ' 65' ' ' VAL . 81.1 t -77.28 119.62 78.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.3 Cg_endo -69.75 129.47 17.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.571 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.9 m120 -124.66 118.07 26.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.8 165.62 76.29 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.291 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.82 13.79 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.63 -45.78 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 4.2 t0 -105.99 149.76 26.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.49 -44.61 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.07 -52.65 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.8 m120 -75.56 -3.19 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -36.47 -65.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.9 p -50.1 -47.72 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.11 136.4 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.5 m -140.18 158.84 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.2 m -69.06 135.51 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.0 mtp -139.09 126.05 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 104' ' ' ILE . 10.3 tt -113.17 143.95 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.408 ' N ' HD23 ' A' ' 103' ' ' LEU . 83.8 mt -123.0 133.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -119.09 102.45 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' THR . 29.8 m -82.63 157.67 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -58.31 6.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 106' ' ' VAL . 3.5 t -112.25 149.83 31.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.6 p -58.51 -50.05 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -43.78 -46.17 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.4 ' H ' HG23 ' A' ' 108' ' ' THR . 16.3 m-20 -52.35 -44.2 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -44.88 -36.56 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' LEU . 8.6 mm-40 -76.76 -66.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 19.7 tp -35.01 -47.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.3 t-80 -65.37 -58.54 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -50.72 -63.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.8 mt -44.42 -43.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.552 ' CD2' HD11 ' A' ' 67' ' ' ILE . 22.0 mt -61.52 -32.18 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.63 -35.07 30.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.69 -44.59 63.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -57.85 -47.42 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -34.54 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -57.42 -52.64 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.43 138.81 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -156.67 134.35 10.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.89 127.91 34.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ASP . 48.5 tt0 -141.13 131.28 24.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . 37.7 t0 -34.47 -57.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -97.74 123.18 41.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 16.3 p90 -64.29 -39.6 94.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -106.51 120.43 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 3.6 t -141.92 116.94 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 139.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -70.23 152.93 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -167.98 174.94 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -110.39 126.06 53.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.44 134.56 33.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -139.65 135.73 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 10.2 p90 -123.7 141.78 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -86.32 105.13 16.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -127.33 121.01 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.39 38.67 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 t30 62.47 42.01 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -154.14 146.42 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.85 112.21 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 7.3 mmpt? -110.91 148.59 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.15 119.3 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.02 -38.68 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.73 130.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 36' ' ' GLY . 16.2 mt -74.72 152.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 179.01 -145.29 6.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -133.34 120.85 21.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -84.98 137.54 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' N ' HD22 ' A' ' 38' ' ' LEU . 59.3 m-70 -131.45 142.07 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 12.5 mt -121.65 118.14 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 150.37 52.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 45' ' ' ASN . 14.2 t -121.94 177.32 5.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.96 -39.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.602 ' H ' HG23 ' A' ' 43' ' ' THR . 3.8 m120 -101.32 162.41 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -57.39 164.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.615 ' O ' HD12 ' A' ' 66' ' ' LEU . 94.4 m -112.08 131.22 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.45 132.4 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.859 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -98.47 125.41 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.7 tp -139.14 141.42 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 38' ' ' LEU . 92.7 t -129.32 121.71 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -85.73 155.62 20.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.6 147.42 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -24.1 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -71.14 143.81 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -44.1 -48.79 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pp -62.61 126.51 27.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.05 105.8 1.52 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.7 t30 -126.7 123.47 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.03 -45.83 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -154.77 113.49 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -120.54 105.27 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 28.2 m -148.52 148.79 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 48' ' ' THR . 15.9 tp -90.87 136.78 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.78 113.95 17.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.03 17.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.12 24.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.34 111.07 13.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttp -139.79 121.44 9.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.529 0.68 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 136.7 33.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.633 ' SG ' HD21 ' A' ' 120' ' ' LEU . 28.2 p -118.73 132.2 56.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 p -134.45 107.97 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 tpt85 -80.47 113.41 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.2 t -112.06 159.83 18.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.92 -156.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 23.0 pttp -95.08 -48.75 5.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 20.4 p-10 -109.52 15.94 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.795 ' HB2' HG23 ' A' ' 76' ' ' THR . 18.6 m120 -103.33 137.28 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 31.8 t -133.44 116.14 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.488 HD22 ' CG2' ' A' ' 101' ' ' THR . 11.0 mt -96.86 133.15 41.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.78 140.57 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 t -100.87 111.96 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -152.31 150.45 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.73 117.09 50.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.5 Cg_endo -69.82 126.66 13.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 2.5 m120 -123.02 121.14 27.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.74 165.67 75.99 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.35 -0.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.63 45.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.13 -43.81 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t0 -113.55 152.2 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.29 -12.82 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.63 -37.01 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -101.26 0.79 38.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -37.34 -63.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.0 p -49.64 -47.97 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.2 ttt -70.18 135.63 86.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.539 0.685 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.2 35.43 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.443 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.4 m -127.99 155.77 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.488 ' CG2' HD22 ' A' ' 82' ' ' LEU . 18.6 m -71.03 136.7 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 mtp -130.77 142.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -124.02 122.9 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.624 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.0 mt -107.4 118.19 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -104.1 114.01 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.43 165.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.707 ' HG3' HG22 ' A' ' 108' ' ' THR . 2.4 ptmm? -50.98 -58.77 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.707 HG22 ' HG3' ' A' ' 107' ' ' LYS . 1.8 t -129.77 144.55 51.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 112' ' ' ALA . 91.7 p -45.2 -55.21 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.564 ' HG2' HG23 ' A' ' 108' ' ' THR . 4.6 pt-20 -38.53 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' SER . 3.7 t70 -73.92 -46.96 41.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLU . . . -57.25 -43.16 82.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -40.22 -25.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.555 ' CG ' HD11 ' A' ' 118' ' ' ILE . 3.9 tp10 -92.85 -55.75 3.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.592 HD23 HG21 ' A' ' 81' ' ' VAL . 20.5 tp -39.45 -28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' GLU . 44.9 t-80 -80.83 -69.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.0 ptmt -44.71 -48.85 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 114' ' ' GLU . 73.3 mt -50.47 -58.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.45 -44.7 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.633 HD21 ' SG ' ' A' ' 73' ' ' CYS . 21.7 mt -62.25 -36.82 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -70.85 -40.48 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HD3' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.21 -42.39 81.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.587 ' CE ' HD23 ' A' ' 120' ' ' LEU . 9.8 pttp -80.15 -41.45 25.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 8.0 m-20 -58.58 -54.4 47.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.639 HG22 ' H ' ' A' ' 11' ' ' GLU . 12.1 p -83.09 133.61 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 16.14 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.639 ' H ' HG22 ' A' ' 9' ' ' VAL . 1.5 tm-20 -146.36 108.75 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 4.9 pt-20 -141.65 138.85 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' GLU . 4.6 m-20 -34.44 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -67.29 151.01 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 33.8 p90 -97.49 -50.18 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -123.36 120.1 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -149.55 132.75 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -73.44 142.48 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 p -167.51 174.3 7.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -103.73 162.12 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -128.95 137.62 51.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -143.36 130.08 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 14.3 p90 -110.07 143.57 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -87.42 111.21 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -137.25 138.12 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.1 40.55 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 57.73 47.28 15.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -162.46 154.28 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -98.41 120.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 4.9 mmpt? -121.83 121.24 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.39 132.81 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -89.05 -41.79 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.18 122.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.72 135.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.01 -158.9 20.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.9 m -124.92 137.16 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 50' ' ' LEU . 2.3 tt -89.3 146.04 24.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 97.3 m-70 -135.89 114.13 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 11.6 mt -95.93 117.86 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -131.63 135.4 26.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.796 HG22 ' C ' ' A' ' 47' ' ' LYS . 5.0 t -103.06 171.05 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 43' ' ' THR . . . -64.26 172.65 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 m120 61.19 31.97 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 51.21 45.18 28.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.796 ' C ' HG22 ' A' ' 43' ' ' THR . 21.4 mmtt -121.46 172.21 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.535 ' O ' HD13 ' A' ' 66' ' ' LEU . 89.6 m -126.2 125.19 42.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -95.6 125.91 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.681 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 tm? -95.34 116.4 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.671 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.1 tp -123.61 145.44 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.39 122.62 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -97.59 147.64 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 147.77 49.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.05 -46.3 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.6 p -52.52 162.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -47.19 -51.36 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -58.26 131.45 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.12 96.99 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 2.8 p-10 -119.08 130.5 55.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.82 112.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 62' ' ' LEU . 12.6 mt -80.43 -45.02 18.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 88' ' ' ASN . 13.9 tp -157.7 112.37 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -119.8 102.15 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 m -149.8 162.86 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 43' ' ' THR . 4.3 mm? -83.34 166.88 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 65.6 mt -113.06 102.01 54.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.684 0.754 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.73 150.98 69.13 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.98 29.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -88.0 16.99 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -75.23 119.81 78.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.34 24.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 16.7 p -141.51 133.32 27.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -144.06 102.03 3.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 80' ' ' ASN . 3.6 mmm180 -85.56 129.54 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.739 HG23 ' HB2' ' A' ' 80' ' ' ASN . 5.9 t -125.52 146.92 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.71 -142.72 48.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 78' ' ' LYS . 3.0 ttmp? -117.96 -36.57 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -115.76 13.56 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.739 ' HB2' HG23 ' A' ' 76' ' ' THR . 10.9 m120 -115.3 149.25 38.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 116' ' ' HIS . 11.9 p -152.63 122.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 101' ' ' THR . 16.3 mt -92.13 152.25 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 82' ' ' LEU . 2.4 pp -158.36 152.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.6 121.15 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.2 p -154.8 157.91 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.25 123.86 70.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.064 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.81 131.21 20.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 63' ' ' LEU . 41.6 t30 -134.76 112.59 11.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.75 170.0 60.56 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.337 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 55.2 mt -92.97 -40.92 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -114.08 117.52 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.0 tt0 -61.41 -45.08 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' GLU . 14.1 mmtp -34.29 -44.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -152.73 102.79 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -92.64 -60.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' ALA . 41.0 m -35.71 -42.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 ttt -65.2 131.63 95.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.464 HG22 ' HD3' ' A' ' 87' ' ' PRO . 6.4 m -136.46 153.93 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 82' ' ' LEU . 95.3 m -71.47 132.72 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtt -132.79 126.87 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tt -106.63 138.67 42.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.675 HD13 HD21 ' A' ' 115' ' ' LEU . 45.5 mt -119.55 117.34 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.32 103.16 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.773 HG21 ' N ' ' A' ' 112' ' ' ALA . 8.0 m -87.29 178.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.41 -67.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.411 ' HB ' ' CD ' ' A' ' 110' ' ' GLU . 81.8 p -82.98 151.84 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 p -66.16 -47.15 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 24.5 pm0 -54.65 -28.72 49.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' N ' ' HG2' ' A' ' 110' ' ' GLU . 6.5 m-20 -66.52 -54.83 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.773 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -48.9 -58.8 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.58 -42.35 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.96 -36.84 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.675 HD21 HD13 ' A' ' 104' ' ' ILE . 31.6 tp -69.6 -57.86 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HB2' HG21 ' A' ' 81' ' ' VAL . 9.6 t-80 -51.0 -42.88 60.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -59.84 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.564 HG22 ' HD3' ' A' ' 122' ' ' LYS . 57.9 mt -38.79 -54.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.32 -53.65 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 73' ' ' CYS . 53.2 mt -47.82 -36.05 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.68 -57.26 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HD3' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -50.65 -46.06 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 30.9 pttt -62.16 -43.3 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.484 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 28.2 m-20 -50.54 -48.99 57.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.878 0.371 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.86 160.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -110.18 169.49 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.71 107.1 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -135.69 168.97 18.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -45.53 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -86.36 128.66 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 37.3 p90 -75.36 -49.08 20.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 38.1 t80 -83.92 108.75 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -126.55 108.25 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -146.97 136.14 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 140.54 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 105' ' ' ARG . 16.8 p -162.11 159.18 25.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -95.53 168.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.33 134.92 44.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 10.9 m-85 -140.88 153.89 45.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -134.19 153.17 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -89.44 114.03 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 126.26 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t0 59.59 38.82 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.55 41.81 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -156.13 161.14 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -107.78 116.46 31.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -106.82 153.85 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.37 116.41 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -75.38 -40.91 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.31 131.84 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.45 144.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.089 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.22 -154.72 11.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -126.41 143.82 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.806 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.2 tm? -101.2 139.86 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.658 ' H ' HD22 ' A' ' 38' ' ' LEU . 22.9 m80 -137.46 118.02 13.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD22 ' CG2' ' A' ' 48' ' ' THR . 26.0 mt -93.03 106.61 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 29.5 mtmt -107.22 121.79 43.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.42 24.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -128.15 170.13 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.93 62.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -86.37 18.01 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 62.87 35.41 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -121.07 176.68 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' HD22 ' A' ' 40' ' ' LEU . 90.9 m -130.28 132.1 45.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.06 128.1 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -83.97 125.53 32.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.636 ' N ' HD13 ' A' ' 50' ' ' LEU . 5.2 tp -141.68 133.46 27.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.55 119.32 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -85.68 149.54 25.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.48 158.93 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -96.85 -42.44 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' ASN . 11.0 t -55.03 149.68 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' THR . 18.1 p-10 -35.01 -42.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.33 119.95 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.66 46.27 3.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -92.3 123.82 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.3 145.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.09 -47.06 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tp -153.18 112.66 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' CB ' HD12 ' A' ' 51' ' ' LEU . 44.5 t-20 -125.65 102.25 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG11 ' O ' ' A' ' 86' ' ' VAL . 32.9 m -143.47 150.09 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -91.86 128.23 37.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.434 HD12 ' HB ' ' A' ' 48' ' ' THR . 97.5 mt -57.48 113.61 6.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.11 37.28 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.43 104.94 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ttp -144.06 125.32 7.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 154.54 67.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.416 ' CB ' HD21 ' A' ' 120' ' ' LEU . 25.8 p -134.5 135.5 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.56 103.24 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -78.11 107.52 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.62 HG23 ' HB2' ' A' ' 80' ' ' ASN . 14.3 t -108.08 162.14 14.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.97 -159.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -96.45 -44.66 7.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 11.7 p-10 -118.0 16.39 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.62 ' HB2' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.56 135.19 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.77 106.33 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.9 tp -86.46 128.08 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.9 pt -143.91 144.84 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 t -105.0 120.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.5 162.7 41.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.556 ' O ' HG11 ' A' ' 65' ' ' VAL . 47.0 t -80.03 122.56 83.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.73 118.6 5.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -122.63 115.23 29.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.37 74.35 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.313 -0.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.89 41.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.2 mt -77.55 -43.81 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.31 147.19 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.28 -40.58 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ASN . 3.0 pttm -47.2 -30.53 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 7.7 m120 -157.71 103.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.2 -58.72 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 m -43.08 -42.39 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpp -58.85 124.74 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 164.16 35.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' A' ' 87' ' ' PRO . 10.8 m -133.33 157.92 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.5 m -72.87 118.5 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 mmt -120.29 136.76 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 80' ' ' ASN . 2.5 tt -117.84 138.93 51.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.3 mp -128.22 131.23 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 6.1 ptm180 -117.59 145.87 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' N ' ' A' ' 112' ' ' ALA . 12.3 m -122.49 162.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -61.18 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 106' ' ' VAL . 4.6 t -101.83 159.63 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.5 t -66.92 -47.31 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.34 -30.2 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.02 -40.57 75.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.636 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -61.61 -56.56 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.14 -44.86 88.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 118' ' ' ILE . 35.2 tp10 -64.78 -63.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 7.0 tp -39.17 -41.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.455 ' CD2' HD11 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -75.29 -39.09 60.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' GLU . 38.3 mtpt -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.7 mp -50.69 -63.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.884 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -55.82 -32.97 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 119' ' ' LEU . 20.8 mt -70.33 -27.22 64.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -86.84 -37.02 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.409 ' CG ' ' OG1' ' A' ' 48' ' ' THR . 28.8 mmtm -73.34 -44.08 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 14.2 pttp -50.11 -39.53 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 3.9 t70 -80.32 -45.36 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.938 0.399 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 35.9 m -128.99 159.01 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 2.3 mppt? -123.53 164.5 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.43 7.11 45.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -106.22 -8.92 17.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t70 52.41 33.99 14.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.33 139.31 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 6.3 p90 -98.02 -45.87 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 115' ' ' LEU . 8.7 t80 -95.33 125.32 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB2' ' CD2' ' A' ' 39' ' ' HIS . 10.8 t -140.8 118.66 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -147.37 143.83 28.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.9 126.14 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.83 173.89 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -104.63 165.78 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.99 137.19 47.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -139.67 128.2 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -110.47 145.03 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 41.3 tttm -86.17 113.63 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -138.29 127.02 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.62 40.24 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 58.65 44.12 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -160.31 152.44 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -96.24 126.49 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 135.13 53.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.45 120.64 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -77.05 -40.61 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.93 135.65 2.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.96 123.48 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.45 -156.24 7.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 m -133.0 132.4 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 50' ' ' LEU . 7.0 tt -86.61 146.31 26.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 40.4 m80 -142.37 118.54 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 50' ' ' LEU . 18.1 mt -104.28 129.66 52.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 140.04 34.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 54.1 Cg_endo -69.74 134.05 27.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.7 p -89.06 159.51 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.59 -178.02 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 16.0 tm0? -74.51 10.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.92 174.37 10.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 122' ' ' LYS . 18.8 m -131.26 130.02 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.4 tt0 -101.52 152.87 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 38' ' ' LEU . 1.4 tm? -122.05 125.02 45.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.3 tp -136.87 132.21 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.17 123.65 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -92.68 145.08 24.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.31 136.91 32.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -90.47 -51.88 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 57' ' ' ASN . 9.6 t -55.14 -41.98 72.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 56' ' ' THR . 5.8 t-20 -81.22 159.15 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.32 -45.47 72.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.37 42.98 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.17 130.5 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.84 146.44 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -98.01 -46.99 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.5 tp -154.86 116.56 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -126.49 101.98 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.933 HG11 ' O ' ' A' ' 86' ' ' VAL . 31.1 m -140.36 162.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 tp -101.57 142.41 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.43 109.99 1.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.95 17.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.34 35.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.26 119.52 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.413 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 1.2 tmt? -141.19 102.04 6.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 54.0 Cg_endo -69.75 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 27.8 p -102.83 135.06 45.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -143.19 102.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CD ' HG23 ' A' ' 81' ' ' VAL . 3.7 mmm180 -86.5 122.05 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 76' ' ' THR . 5.3 t -128.44 121.08 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.95 -150.06 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -117.94 -37.98 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -117.43 18.05 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -130.19 136.99 49.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 116' ' ' HIS . 7.8 p -140.23 123.72 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -88.62 139.87 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.7 pt -148.33 134.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.03 119.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.11 163.35 39.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.933 ' O ' HG11 ' A' ' 65' ' ' VAL . 98.1 t -84.0 118.53 71.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.0 Cg_endo -69.74 122.73 9.41 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.605 ' HB2' HG12 ' A' ' 65' ' ' VAL . 3.2 t-20 -125.84 115.41 24.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.75 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.1 Cg_endo -69.78 160.41 88.14 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.33 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 120.98 7.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.13 -45.55 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -118.91 151.46 38.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.71 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.0 pt-20 -86.81 -43.29 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -49.05 -43.39 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.81 13.84 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.71 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -40.76 -61.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 p -54.71 -43.4 72.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.1 ttt -72.89 139.47 80.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.61 33.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.421 HG22 ' HD3' ' A' ' 87' ' ' PRO . 11.2 m -129.84 160.78 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 62.6 m -69.91 135.01 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.48 147.14 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 80' ' ' ASN . 7.6 tt -129.62 141.74 50.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' ILE . 15.3 mt -118.6 106.97 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 32.0 mtm180 -100.08 109.57 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 107' ' ' LYS . 9.2 p -95.23 168.87 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.585 ' H ' HG22 ' A' ' 106' ' ' VAL . 24.5 mttp -57.83 -60.02 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -115.07 143.93 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 5.6 t -49.14 -56.16 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -38.79 -39.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.504 ' HB3' HG21 ' A' ' 106' ' ' VAL . 15.4 m-20 -67.12 -39.73 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.525 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -55.08 -61.55 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -43.79 -41.98 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.02 -44.39 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' A' ' 115' ' ' LEU . 0.3 OUTLIER -60.83 -59.85 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.724 ' HE1' HD11 ' A' ' 120' ' ' LEU . 6.7 t-80 -54.87 -40.86 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -55.93 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' LEU . 97.6 mt -48.91 -56.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ILE . 14.0 mt -35.85 -55.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 123' ' ' LYS . 79.1 mt -49.01 -45.56 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 2.7 mm-40 -70.34 -37.88 74.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.673 ' HB3' HG21 ' A' ' 48' ' ' THR . 28.9 mmtm -76.51 6.69 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.824 ' CE ' HD23 ' A' ' 120' ' ' LEU . 5.6 pttt -135.48 115.26 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 t70 65.1 34.06 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.7 m -67.23 120.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -108.64 17.45 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.16 14.58 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.75 135.99 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.7 -46.8 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.869 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . -88.67 126.21 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 40' ' ' LEU . 42.4 t80 -87.48 121.43 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.4 p -140.83 106.9 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -144.68 137.96 26.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -76.75 140.94 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.9 p -163.78 177.89 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -117.45 126.32 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.89 143.51 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -145.15 132.97 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 36.1 p90 -120.24 146.71 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -93.73 115.48 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 ptmt -140.98 140.76 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.01 36.08 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.91 47.99 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -162.17 156.17 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -97.76 113.42 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.8 mmmp? -109.3 152.58 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -86.38 122.64 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -78.95 -45.44 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.63 118.78 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.14 126.76 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.42 -134.72 1.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.4 m -131.79 131.45 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 39' ' ' HIS . 1.9 tm? -82.48 138.06 34.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.931 ' N ' HD13 ' A' ' 38' ' ' LEU . 42.9 m-70 -134.63 161.94 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.869 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 76.9 mt -146.9 107.57 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -127.53 143.21 46.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.65 38.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -98.68 169.88 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.97 -46.91 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.27 177.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.96 15.9 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -111.62 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 66' ' ' LEU . 93.0 m -107.49 140.27 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 50' ' ' LEU . 28.6 tt0 -105.14 149.83 25.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -116.07 123.85 48.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.489 HD13 ' ND2' ' A' ' 64' ' ' ASN . 10.7 tp -138.15 119.71 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 38' ' ' LEU . 6.3 t -100.22 124.86 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -93.4 143.23 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 177.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -95.63 -43.53 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -54.01 147.91 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 58' ' ' LEU . 3.4 m120 -46.08 -59.15 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 57' ' ' ASN . 19.4 tp -33.83 -65.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.41 138.13 7.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -158.9 156.63 29.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.11 113.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 62' ' ' LEU . 18.1 mt -89.63 -54.16 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -145.07 114.08 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.489 ' ND2' HD13 ' A' ' 51' ' ' LEU . 43.0 t-20 -118.22 110.32 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.52 158.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 48' ' ' THR . 52.6 tp -103.7 140.72 37.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 122' ' ' LYS . 90.8 mt -68.57 111.63 8.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -28.04 25.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -133.62 116.06 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 ttp -139.87 128.97 13.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 145.89 58.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.453 ' HB2' ' HE2' ' A' ' 116' ' ' HIS . 25.0 p -127.94 124.26 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.65 110.13 11.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HD3' HG22 ' A' ' 81' ' ' VAL . 3.1 mmm180 -89.33 118.65 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 80' ' ' ASN . 11.8 t -120.14 159.9 23.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.59 -150.18 35.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -97.91 -55.06 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -116.56 17.77 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HB2' HG23 ' A' ' 76' ' ' THR . 43.4 m-20 -96.17 133.04 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 75' ' ' ARG . 91.6 t -123.98 123.32 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 ' CG2' ' A' ' 101' ' ' THR . 1.4 tt -105.52 136.59 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.539 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.6 pt -140.36 164.64 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 99' ' ' PRO . 11.1 t -129.14 120.12 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.9 p -155.56 158.12 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.12 110.98 18.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.645 0.736 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.521 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.6 Cg_endo -69.72 139.45 40.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -129.17 113.44 18.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.48 58.35 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.343 -0.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.52 -38.1 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.47 156.85 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -99.27 -37.2 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.63 -46.66 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.8 17.9 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.85 -62.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -45.57 -46.43 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.96 162.27 65.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.77 174.99 8.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.521 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.4 p -122.41 149.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.633 ' CG2' HD21 ' A' ' 82' ' ' LEU . 19.3 m -85.71 109.67 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.419 ' HG3' HG13 ' A' ' 100' ' ' VAL . 9.4 mtp -114.52 155.83 25.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 tt -142.32 129.78 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.8 mt -101.0 137.61 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.8 120.3 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.489 HG11 ' OD2' ' A' ' 111' ' ' ASP . 27.5 m -109.55 174.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -82.44 -53.99 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.42 HG23 ' HG2' ' A' ' 110' ' ' GLU . 7.0 t -105.69 146.9 29.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' GLU . 11.3 m -58.8 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' SER . 5.3 pt-20 -35.4 -39.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.489 ' OD2' HG11 ' A' ' 106' ' ' VAL . 27.7 t0 -57.15 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 81' ' ' VAL . . . -52.22 -61.3 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 117' ' ' LYS . 25.8 t70 -38.21 -58.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 8.4 tp10 -59.81 -53.31 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.8 tp -46.75 -45.0 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.795 ' CE1' HD11 ' A' ' 120' ' ' LEU . 42.4 t-80 -66.17 -47.36 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 19.6 mttp -59.8 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 89.7 mt -38.84 -64.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.1 mt -39.64 -57.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.795 HD11 ' CE1' ' A' ' 116' ' ' HIS . 39.9 mt -52.12 -36.03 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' ILE . 45.0 mt-10 -72.32 -55.34 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 67' ' ' ILE . 3.0 mtmp? -48.54 -36.98 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 4.6 pttp -81.74 -32.07 31.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.6 t70 -52.65 -49.57 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 22.3 m -87.68 137.36 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -126.4 116.35 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.23 14.78 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -128.49 122.8 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.22 -45.39 4.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . -100.49 112.11 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CZ ' ' NZ ' ' A' ' 122' ' ' LYS . 29.5 p90 -61.85 -39.22 91.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -93.48 133.92 36.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.9 p -140.13 106.27 5.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HD3' HG23 ' A' ' 106' ' ' VAL . 4.5 tmmm? -133.23 127.94 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 2.9 mppt? -87.19 126.95 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 p -161.78 177.54 9.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -111.51 165.82 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 11.4 mt -120.37 140.29 51.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 32' ' ' GLU . 94.2 m-85 -137.57 134.35 35.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -117.77 149.34 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 29.3 tptt -91.92 113.64 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 26.8 tttp -142.23 146.05 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 50.05 40.0 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 56.87 47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.51 152.05 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 22.2 m-85 -92.84 118.36 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -116.43 150.71 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 26.5 tp10 -80.93 130.25 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -83.17 -43.76 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.83 130.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.31 139.25 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.64 -148.39 6.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -133.38 145.54 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.338 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -93.73 136.59 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.659 ' N ' HD22 ' A' ' 38' ' ' LEU . 66.6 m-70 -133.73 149.2 51.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 70.2 mt -129.73 115.46 17.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.18 121.59 38.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.17 68.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.2 p -112.75 178.53 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.82 -26.47 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -81.4 17.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 56.89 35.18 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -110.93 178.34 4.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 67' ' ' ILE . 46.6 m -130.38 122.92 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -99.04 131.14 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.1 tm? -86.73 115.73 24.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.5 tp -132.44 136.56 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 38' ' ' LEU . 96.7 t -126.08 117.01 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -85.58 155.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' A' ' 60' ' ' ASN . . . -97.32 155.41 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -68.01 -32.97 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.1 t -55.51 172.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.03 170.25 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' GLY . 10.7 tp 62.64 32.14 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . 28.96 59.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.626 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.8 t30 -55.96 137.44 50.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.9 mt -86.31 129.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 70.4 mt -105.58 -37.95 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.6 tp -154.35 116.48 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -128.4 104.96 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 86' ' ' VAL . 29.1 m -154.92 148.17 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.86 147.12 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.701 HD12 ' HB ' ' A' ' 48' ' ' THR . 69.2 mt -65.88 112.43 8.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.138 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.88 17.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.295 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.92 5.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -122.51 123.48 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttp -154.84 122.36 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.1 p -112.67 132.76 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -139.3 103.44 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.2 mmm180 -80.87 112.05 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.695 HG23 ' HB2' ' A' ' 80' ' ' ASN . 10.9 t -108.15 152.39 24.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.52 -151.81 17.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -110.12 -35.44 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -117.94 18.07 14.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.695 ' HB2' HG23 ' A' ' 76' ' ' THR . 4.2 m-80 -113.09 144.06 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.649 HG21 HD23 ' A' ' 115' ' ' LEU . 59.0 t -137.46 111.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.739 HD13 HD23 ' A' ' 103' ' ' LEU . 10.4 tp -94.13 128.34 40.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.8 pt -144.66 138.21 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 113.42 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.74 153.19 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.464 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.1 t -75.69 118.37 70.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 126.31 13.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 5.6 m120 -125.93 116.37 24.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.79 164.18 80.0 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.351 -0.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.28 20.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.31 -43.57 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.91 147.33 27.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.76 -42.53 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -39.56 -42.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 0.6 OUTLIER -153.51 102.06 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 -42.47 8.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -45.06 -34.52 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.0 ttt -83.19 130.26 57.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.87 44.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.3 m -122.66 158.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 82' ' ' LEU . 89.5 m -71.78 135.58 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.513 ' O ' HD12 ' A' ' 82' ' ' LEU . 5.1 mmt -132.89 137.06 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.739 HD23 HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -114.61 127.46 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 103' ' ' LEU . 21.5 mt -111.59 114.43 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HG3' HD12 ' A' ' 103' ' ' LEU . 61.1 mtt180 -108.08 113.93 27.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.673 HG23 ' HD3' ' A' ' 18' ' ' LYS . 9.9 p -92.95 162.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 106' ' ' VAL . 9.2 ttmm -60.45 -48.88 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 127.95 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -46.22 -52.44 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.2 pt-20 -39.71 -38.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 106' ' ' VAL . 7.4 t0 -63.68 -50.96 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.69 -53.61 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -42.13 -58.54 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -53.75 -50.82 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 HG21 ' A' ' 81' ' ' VAL . 7.6 tp -51.02 -46.24 61.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 18.1 t-80 -66.42 -49.86 65.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -54.93 -57.54 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 119' ' ' LEU . 83.5 mt -53.47 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 118' ' ' ILE . 16.0 mt -32.92 -41.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.14 -60.24 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -39.4 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.688 ' HD3' HG21 ' A' ' 48' ' ' THR . 9.4 mmpt? -53.42 -43.69 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.481 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 45.4 mttp -44.27 -51.77 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -78.71 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.3 m 37.71 32.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' GLU . 45.2 mttt -86.31 17.94 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.75 15.22 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -124.64 172.77 8.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.76 -43.41 65.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.07 121.48 15.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 35.5 p90 -71.63 -46.99 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' HE2' HD13 ' A' ' 115' ' ' LEU . 49.7 t80 -97.03 105.78 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -121.15 118.29 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 127.57 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.91 135.92 53.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -162.82 169.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 104' ' ' ILE . 4.6 mtmp? -109.09 160.47 16.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.47 134.38 55.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.89 148.96 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 5.6 p90 -130.66 153.95 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -92.21 114.78 27.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mtmt -142.27 126.75 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 60.14 38.34 20.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 61.47 42.76 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -157.98 149.3 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -102.02 116.02 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 22.9 mmtm -105.51 157.59 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -89.58 113.67 25.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -66.11 -42.65 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.71 140.22 2.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 21' ' ' LYS . 43.0 mt -77.85 128.49 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.61 -153.79 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -130.95 141.96 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.776 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -93.97 134.43 36.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.1 m-70 -134.84 113.33 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 mt -95.8 114.45 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HE2' HD23 ' A' ' 51' ' ' LEU . 2.7 mtmp? -115.02 134.45 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.22 17.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.453 HG22 ' HB2' ' A' ' 49' ' ' GLN . 17.6 p -87.27 157.1 19.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.01 -34.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 24.5 m120 -92.91 -178.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.05 12.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HB3' HD11 ' A' ' 66' ' ' LEU . 7.9 mmpt? -88.45 178.5 6.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.6 m -129.73 128.92 43.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' THR . 50.4 tt0 -90.54 140.91 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.76 110.68 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD23 ' HE2' ' A' ' 41' ' ' LYS . 25.1 tp -129.66 136.18 49.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 HD23 ' A' ' 38' ' ' LEU . 95.7 t -131.71 115.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -86.36 143.99 27.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -88.56 151.64 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -84.81 102.25 12.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 p -153.19 171.62 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -51.53 -48.5 62.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.11 -66.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.52 108.49 1.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -110.58 166.52 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.748 0.309 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -90.6 124.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.75 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 50.2 mt -87.58 -51.76 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.53 125.13 9.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -130.08 107.11 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 86' ' ' VAL . 35.1 m -150.59 165.34 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 48' ' ' THR . 33.2 tp -96.27 139.73 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.623 HD12 ' HB ' ' A' ' 48' ' ' THR . 47.5 mt -73.43 118.17 66.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 170.15 17.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.329 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 123' ' ' LYS . 54.1 Cg_endo -69.78 -37.36 9.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -129.38 114.56 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 ttp -133.24 133.58 23.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.557 0.694 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.94 16.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 137.78 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.41 138.83 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 tpt85 -101.01 136.81 40.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -150.32 167.47 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.71 178.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -54.95 -48.25 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.479 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -147.63 102.03 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -150.75 165.47 33.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 115' ' ' LEU . 92.0 t -148.44 101.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 101' ' ' THR . 0.9 OUTLIER -91.25 129.85 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 82' ' ' LEU . 25.5 pt -151.28 145.12 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.69 122.16 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -155.48 161.7 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' HG11 ' A' ' 65' ' ' VAL . 91.2 t -76.65 115.21 45.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.1 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 47.1 m-20 -124.62 118.32 26.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 54.6 Cg_endo -69.71 166.01 75.02 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.384 -0.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.19 4.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.0 mt -57.37 -44.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.95 162.63 12.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.19 -37.41 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -40.8 -44.9 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.81 102.89 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.6 -43.09 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 t -52.06 -28.75 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.5 mtp -86.53 132.11 43.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 165.72 30.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.433 HG22 ' HD3' ' A' ' 87' ' ' PRO . 14.4 m -127.25 158.59 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HD21 ' A' ' 82' ' ' LEU . 88.2 m -71.9 115.5 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.6 mtp -114.41 150.18 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 104' ' ' ILE . 5.7 tt -144.71 142.67 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.522 ' N ' HD23 ' A' ' 103' ' ' LEU . 23.7 mt -120.01 143.57 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -118.76 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 31.6 m -100.76 179.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -82.62 -57.19 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -107.65 146.75 31.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.9 p -51.19 -54.73 22.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -43.06 -32.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.8 t0 -62.07 -52.11 65.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . . . -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.06 -46.36 78.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.33 -64.0 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 81' ' ' VAL . 6.1 tp -53.85 -41.12 67.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.4 ' CE1' HD11 ' A' ' 120' ' ' LEU . 6.0 t-80 -54.94 -44.01 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -73.81 -54.46 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.2 mt -46.95 -46.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.45 -42.95 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 116' ' ' HIS . 54.9 mt -65.98 -31.24 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -80.03 -34.72 38.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.52 -48.85 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 27.4 pttt -47.51 -36.24 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -84.59 -44.28 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.3 133.44 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -90.25 130.92 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -77.97 1.9 19.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.39 169.49 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -86.24 -42.82 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -70.16 118.69 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p90 -79.74 -40.64 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 64.3 t80 -98.45 128.37 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.9 p -138.96 118.66 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 136.84 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -79.12 142.48 36.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -165.88 168.44 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HD3' ' CD ' ' A' ' 32' ' ' GLU . 1.8 ttmp? -102.92 138.33 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.47 146.43 27.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 82.1 m-85 -146.65 129.18 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -110.29 149.64 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -90.03 112.52 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -136.92 131.7 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 57.97 39.04 26.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 t30 61.18 42.81 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -156.58 154.53 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.4 m-85 -96.97 111.05 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -104.92 151.96 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 11.7 tt0 -81.0 125.63 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -81.8 -43.09 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.9 136.98 2.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.39 140.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.18 -154.46 12.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.9 m -131.59 139.06 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.849 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -92.8 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.805 ' N ' HD13 ' A' ' 38' ' ' LEU . 92.9 m-70 -133.87 127.47 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 49' ' ' GLN . 12.1 mt -107.4 108.2 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.7 132.36 21.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 132.41 23.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 49' ' ' GLN . 5.4 p -86.66 162.67 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -97.69 179.2 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.59 -3.21 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.7 mttm -68.77 173.88 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 66' ' ' LEU . 63.3 m -131.01 128.61 40.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.573 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.1 tt0 -91.27 147.54 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.599 ' CD2' HD21 ' A' ' 38' ' ' LEU . 1.4 tm? -122.9 117.09 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 22.3 tp -135.26 152.84 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 92.2 t -137.71 126.96 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -93.21 126.94 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.97 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -81.55 159.46 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.09 104.66 14.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.2 p -152.45 175.88 12.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -48.33 -61.44 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 tp -93.8 -55.12 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.76 152.26 7.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -156.37 152.25 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -78.94 120.2 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.97 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 21.0 mt -83.16 -55.92 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' CD1' ' H ' ' A' ' 88' ' ' ASN . 42.4 tp -149.1 133.46 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -143.61 104.58 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.683 HG11 ' O ' ' A' ' 86' ' ' VAL . 17.8 m -144.73 175.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' THR . 47.0 tp -110.17 133.89 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' A' ' 48' ' ' THR . 96.9 mt -63.87 117.38 35.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.18 24.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -126.84 106.32 9.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -132.23 127.46 20.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.482 ' CG ' ' HB ' ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.77 127.17 14.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.415 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.9 p -113.09 122.78 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.91 147.3 32.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -117.9 148.16 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 t -150.54 166.71 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.07 -176.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -59.06 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -139.43 101.99 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -150.22 169.89 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.0 t -149.09 107.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.765 HD11 HG23 ' A' ' 101' ' ' THR . 4.6 tp -96.68 128.35 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 pt -150.68 134.77 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.482 ' HB ' ' CG ' ' A' ' 72' ' ' PRO . 97.8 t -96.89 118.34 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.94 162.68 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.683 ' O ' HG11 ' A' ' 65' ' ' VAL . 76.3 t -77.68 118.35 71.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 13.9 t-20 -128.79 117.76 19.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.76 167.41 71.12 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.63 68.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.97 -41.51 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.83 168.19 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -97.19 -33.27 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -82.26 -54.02 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.46 12.93 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.75 -63.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.7 p -52.0 -45.44 64.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.412 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 24.4 ttm -69.27 138.47 89.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.523 0.678 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 53.9 Cg_endo -69.71 162.93 40.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.61 160.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.765 HG23 HD11 ' A' ' 82' ' ' LEU . 99.6 m -75.81 131.86 40.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 mtp -126.18 124.06 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -113.34 118.45 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.57 129.02 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -106.35 122.94 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 79' ' ' ASN . 29.5 m -110.4 178.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -78.36 -68.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.85 155.2 18.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ASP . 32.6 t -63.32 -49.37 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 34.3 t0 -75.87 -49.98 16.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.46 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 75' ' ' ARG . 30.3 t70 -64.42 -54.5 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -66.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.4 tp -47.28 -62.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 3.7 t-80 -47.01 -46.7 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -60.77 -40.23 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -50.59 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.5 -36.63 84.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 120' ' ' LEU . 1.9 tp -70.48 -49.68 45.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.96 -50.87 53.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 2.6 pttp -67.51 -29.78 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 26.4 t0 -63.38 -56.29 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.59 136.04 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.0 153.93 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 67.99 44.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -116.55 163.33 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -60.82 -48.0 83.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.2 140.46 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.7 p90 -85.42 -44.39 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 90.4 t80 -98.72 123.03 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -138.98 110.62 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -140.99 137.34 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -76.64 138.35 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.3 p -168.07 177.89 5.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 1.1 ttmp? -124.69 134.24 52.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.771 HD23 HD11 ' A' ' 104' ' ' ILE . 10.3 mt -83.46 160.34 21.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 78.4 m-85 -154.04 130.1 10.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 22.2 p90 -124.0 147.92 47.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -85.5 115.87 23.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -139.01 120.26 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 63.9 39.4 8.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.5 m120 61.93 37.27 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -150.1 152.71 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -93.26 112.86 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 9.4 mmmt -113.92 111.46 21.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 4.1 pt-20 -61.14 116.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -53.1 -33.66 53.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.85 166.96 14.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 55' ' ' ASP . 50.8 mt -86.16 138.02 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.83 -165.74 33.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -126.45 141.07 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.5 tm? -90.36 137.83 32.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.798 ' N ' HD13 ' A' ' 38' ' ' LEU . 31.6 m-70 -140.03 129.23 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 50' ' ' LEU . 57.3 mt -113.09 133.03 55.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -143.51 143.12 22.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 0.0 110.937 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.07 68.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 p -108.7 172.0 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.61 71.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -80.58 14.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 62.21 34.78 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.5 mmtt -112.37 175.39 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' HD12 ' A' ' 66' ' ' LEU . 25.7 m -113.25 107.84 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.68 145.76 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 40' ' ' LEU . 8.0 tt -103.32 143.14 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 6.1 tp -146.72 134.72 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HD23 ' A' ' 38' ' ' LEU . 79.2 t -128.6 116.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -95.43 146.39 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.642 ' HB3' ' HA2' ' A' ' 59' ' ' GLY . . . -71.39 150.93 44.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.541 ' HB2' HG22 ' A' ' 35' ' ' ILE . 26.1 t0 -75.16 -45.15 42.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -61.34 167.99 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' LEU . 2.0 p30 -44.29 -57.68 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' ASN . 30.7 mt -34.09 -44.8 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.642 ' HA2' ' HB3' ' A' ' 54' ' ' ALA . . . 44.64 42.56 7.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -80.89 152.97 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.17 121.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.77 -43.52 13.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 88' ' ' ASN . 23.4 tp -154.07 117.91 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -128.84 112.09 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.0 m -152.56 166.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 48' ' ' THR . 30.0 tp -100.72 151.92 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 81.7 mt -81.62 112.67 36.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.76 169.47 18.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.337 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -32.51 18.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -123.62 106.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.4 ttp -133.54 118.54 14.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 135.1 29.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 29.7 p -115.67 137.23 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.3 p -140.41 102.61 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -76.34 114.66 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 154.78 32.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.48 -160.62 17.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.43 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -96.31 -46.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 51.8 p-10 -117.8 17.96 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.828 ' HB3' HD21 ' A' ' 103' ' ' LEU . 67.2 m-80 -101.99 148.2 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -136.09 108.95 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 101' ' ' THR . 9.0 mt -91.48 129.34 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 pt -141.6 153.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.61 115.56 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.36 153.37 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.485 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.8 t -71.76 120.33 79.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.54 17.77 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.49 ' H ' HD12 ' A' ' 63' ' ' LEU . 5.0 m120 -131.57 116.01 16.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.78 75.83 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.345 -0.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 149.38 66.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.4 mt -97.57 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.09 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.53 -37.98 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -66.13 -27.47 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 25.2 m-80 -154.5 102.08 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.76 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.5 m -49.74 -40.34 40.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.1 mmm -76.76 136.58 66.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.82 55.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.99 160.41 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.452 ' CG2' HD22 ' A' ' 82' ' ' LEU . 56.8 m -69.14 133.11 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.2 mtp -132.34 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 80' ' ' ASN . 3.6 tt -132.0 150.05 52.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.771 HD11 HD23 ' A' ' 22' ' ' LEU . 18.9 mm -131.87 126.31 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -115.75 101.99 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.606 HG11 ' N ' ' A' ' 112' ' ' ALA . 10.4 p -82.92 164.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.536 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.2 tmtt? -44.49 -68.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.529 HG23 ' CG ' ' A' ' 110' ' ' GLU . 8.8 t -114.24 134.25 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 87.7 p -41.0 -54.45 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.6 pt-20 -38.03 -38.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.506 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 14.0 m-20 -69.22 -43.71 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.606 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -47.76 -52.22 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -46.9 -49.23 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.12 -44.67 96.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.17 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.615 ' CE1' HD21 ' A' ' 120' ' ' LEU . 9.1 t-80 -55.28 -50.71 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -40.73 -58.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.54 -66.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.68 ' H ' HD12 ' A' ' 119' ' ' LEU . 7.1 mp -40.95 -56.27 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 116' ' ' HIS . 4.1 mm? -47.62 -37.91 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -76.74 -52.65 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -50.76 -48.32 59.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 9.6 pttp -61.1 -44.07 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 83.6 m-20 -48.68 -48.16 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG22 ' CG ' ' A' ' 10' ' ' LYS . 9.4 p -89.48 151.41 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' CG ' HG22 ' A' ' 9' ' ' VAL . 17.7 mttt 52.0 48.03 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.86 155.46 38.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.03 134.73 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -52.01 -50.43 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.58 141.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 32.3 p90 -81.42 -42.01 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -108.57 108.23 19.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -130.54 110.43 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -145.08 140.29 27.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HA ' HG23 ' A' ' 37' ' ' THR . 15.7 ptpt -70.78 139.61 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -166.25 166.34 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 35' ' ' ILE . 41.7 mttt -98.23 168.82 10.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 52' ' ' VAL . 11.6 mt -137.01 131.31 32.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 50.2 m-85 -132.53 144.8 50.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 46.4 p90 -126.74 147.82 49.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -86.56 115.12 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -137.79 125.31 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 54.91 39.54 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 62.82 45.46 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -155.38 155.08 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -105.21 111.54 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 11.6 mmmm -108.04 124.82 50.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 36.6 tt0 -60.85 106.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.32 -47.63 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.37 135.54 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' LYS . 13.7 mm -64.99 143.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.78 -160.54 29.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 19' ' ' LYS . 7.8 m -129.11 144.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -100.75 137.91 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.632 ' N ' HD13 ' A' ' 38' ' ' LEU . 13.6 m80 -134.38 121.22 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HG ' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -96.94 117.74 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -144.42 142.29 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.45 63.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 45' ' ' ASN . 12.9 t -112.01 159.87 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 43' ' ' THR . 12.8 m120 -82.24 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 49.56 32.02 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -125.97 163.93 21.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -80.96 113.09 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' A' ' 66' ' ' LEU . 27.6 tt0 -101.22 121.27 41.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.3 tp -85.76 134.86 33.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -142.58 120.51 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 22' ' ' LEU . 87.3 t -114.98 115.53 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' NH1' ' HA3' ' A' ' 59' ' ' GLY . 40.2 ttm-85 -99.31 131.77 45.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 142.82 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -96.31 -60.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 57' ' ' ASN . 9.5 t -55.52 -41.71 73.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' N ' HG23 ' A' ' 56' ' ' THR . 3.8 t-20 -92.21 172.62 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.36 156.24 36.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -46.66 105.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 19.5 p30 -139.48 175.4 9.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 116.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 62' ' ' LEU . 12.6 mt -91.98 -50.56 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -153.59 112.59 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -121.74 111.96 17.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.2 m -151.63 171.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 49' ' ' GLN . 15.5 mt -112.63 145.62 40.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -81.3 111.43 24.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.252 . . . . 0.0 112.33 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.46 32.01 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -126.53 102.99 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttp -145.87 121.01 5.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.12 34.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 55.8 m -117.25 134.15 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.8 104.6 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.422 ' CD ' HG22 ' A' ' 81' ' ' VAL . 2.4 mmm180 -85.58 114.96 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.714 HG23 ' HB2' ' A' ' 80' ' ' ASN . 2.3 t -107.18 155.17 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.05 -146.73 9.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -114.69 -31.84 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -117.98 14.82 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' A' ' 76' ' ' THR . 51.5 m-20 -112.42 148.13 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.8 t -138.78 118.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 83' ' ' ILE . 10.4 tp -103.51 139.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' LEU . 20.2 pt -155.63 151.0 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.62 120.48 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 p -155.55 156.75 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.39 116.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.81 130.83 19.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.407 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 5.8 m-20 -123.11 116.04 28.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.81 78.35 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.346 -0.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.88 46.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.47 HG22 ' OD1' ' A' ' 92' ' ' ASP . 36.0 mm -53.84 -45.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' OD1' HG22 ' A' ' 91' ' ' ILE . 8.8 m-20 -142.83 166.48 24.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 55.2 mm-40 -76.04 -40.58 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -60.73 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.78 13.1 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -51.35 -53.18 38.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 78.6 p -63.18 -42.28 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 28.5 mtp -76.59 134.38 69.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.437 HG22 ' HD3' ' A' ' 87' ' ' PRO . 9.3 m -130.45 157.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.3 m -71.82 114.88 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.3 mmt -115.44 130.87 57.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 104' ' ' ILE . 2.9 tt -115.78 146.74 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.673 ' N ' HD23 ' A' ' 103' ' ' LEU . 4.7 mp -120.99 122.92 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -110.37 109.14 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.27 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.11 -50.03 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.0 p -113.5 132.15 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -48.16 -52.44 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.94 -38.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -60.71 -57.88 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.28 -42.26 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.13 -48.5 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LYS . 6.2 tp10 -62.85 -61.18 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 27.5 tp -37.65 -48.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.89 ' O ' HD23 ' A' ' 120' ' ' LEU . 11.0 t-80 -57.53 -43.54 84.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' GLU . 32.9 mmtt -52.17 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.6 mp -54.81 -60.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -39.29 -42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 40.6 mt-10 -77.94 -30.5 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -78.83 11.79 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 123' ' ' LYS . 2.8 pttp -137.65 113.37 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t0 62.06 34.44 16.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 21.2 p90 -78.62 -42.22 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -110.08 106.81 16.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -129.51 117.82 21.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' C ' HG23 ' A' ' 37' ' ' THR . 31.7 tptt -150.78 145.19 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -74.84 141.64 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 p -164.23 171.52 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 27.1 mttp -117.91 134.93 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.32 147.67 22.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 67.2 m-85 -153.12 123.27 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 8.2 p90 -104.14 154.47 19.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -92.56 118.2 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 91' ' ' ILE . 8.6 mtpm? -140.55 115.83 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.2 t70 66.59 43.95 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 58.55 41.19 22.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.34 160.78 41.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.26 127.0 54.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mmtt -118.36 131.68 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 14.6 tt0 -65.19 110.95 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -67.94 -43.92 77.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.87 127.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 mt -64.5 132.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . -170.76 -171.12 35.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 18' ' ' LYS . 31.2 m -121.45 135.89 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 38' ' ' LEU . 1.2 tt -82.67 138.71 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -130.47 107.73 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mt -96.51 119.13 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.99 150.86 50.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 147.82 64.18 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 47' ' ' LYS . 14.7 t -112.58 171.33 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.82 -44.34 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -81.73 178.04 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.57 7.22 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 43' ' ' THR . 28.4 mmtp -94.81 168.45 10.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.696 ' HB ' HD12 ' A' ' 67' ' ' ILE . 32.9 m -104.18 133.67 48.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HA ' HD23 ' A' ' 66' ' ' LEU . 7.5 tt0 -95.64 129.49 42.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.5 tm? -99.37 124.69 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.3 tp -136.32 146.95 47.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.8 t -137.43 116.89 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -92.67 142.39 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.98 134.07 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 13.3 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -71.29 120.05 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.33 -50.15 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 88' ' ' ASN . 14.3 tp -149.75 118.37 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -127.64 103.77 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.672 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.7 m -140.55 175.35 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 49' ' ' GLN . 12.5 mt -113.73 122.24 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' A' ' 48' ' ' THR . 83.5 mt -54.08 108.72 1.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 168.49 21.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.31 11.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -113.8 106.96 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -144.44 118.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.51 0.671 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.14 67.97 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.403 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 28.0 p -120.33 140.64 50.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -142.59 106.02 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 2.2 mmm180 -93.51 112.69 24.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 80' ' ' ASN . 3.8 t -108.13 157.15 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.04 -145.71 20.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 2.5 ptpp? -115.85 -35.43 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 17.5 p-10 -117.96 16.53 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 76' ' ' THR . 29.3 m120 -110.2 151.21 27.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG22 ' CD ' ' A' ' 75' ' ' ARG . 45.6 t -145.55 135.49 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 102' ' ' MET . 3.6 mt -121.51 146.3 47.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 pt -153.18 145.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.72 117.19 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.4 p -154.73 160.99 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.672 ' O ' HG11 ' A' ' 65' ' ' VAL . 87.4 t -80.22 116.28 60.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.544 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 m-20 -127.68 117.2 21.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.76 155.62 93.16 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.87 31.62 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.554 HG21 ' HD2' ' A' ' 26' ' ' LYS . 15.7 mt -76.08 -43.59 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -94.51 146.0 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -88.63 -37.01 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -79.46 -44.75 20.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.15 7.8 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.7 -64.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.5 p -50.41 -47.17 56.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 136.36 83.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.77 26.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.57 157.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.609 ' CG2' HD22 ' A' ' 82' ' ' LEU . 55.6 m -73.31 127.15 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.634 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.0 mmt -125.17 138.0 54.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 tt -121.35 135.74 55.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.26 116.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -101.28 113.42 26.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.22 177.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -83.37 -47.09 11.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.0 124.33 51.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -45.88 -21.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.72 -44.44 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -59.05 -40.04 83.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.82 -62.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -45.89 -55.84 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HG3' HD11 ' A' ' 118' ' ' ILE . 3.5 tp10 -52.82 -48.58 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.24 -45.48 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.478 ' HA ' HD12 ' A' ' 119' ' ' LEU . 31.3 t-80 -66.77 -46.0 76.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -56.43 -58.51 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 114' ' ' GLU . 31.8 mt -45.19 -55.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 116' ' ' HIS . 36.9 mt -43.93 -55.82 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 116' ' ' HIS . 19.3 mt -47.28 -46.14 24.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.86 -44.51 80.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -57.22 -46.12 83.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -71.51 -23.82 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.06 -52.51 65.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 40.4 p90 -58.4 -46.65 86.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -102.11 126.13 48.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -140.72 110.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -142.59 128.21 19.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 140.56 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -165.89 172.7 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -105.9 157.94 17.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -120.86 137.24 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 70.8 m-85 -140.99 150.33 42.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 4.9 p90 -135.0 158.71 43.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -88.27 111.54 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -141.47 123.07 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 60.86 39.0 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 58.51 45.47 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -159.14 153.89 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -98.65 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 28.7 mmtp -101.0 142.33 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 12.7 tt0 -78.38 114.99 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.57 -42.94 86.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.37 125.86 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 36' ' ' GLY . 11.6 mt -65.3 153.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.47 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . 173.3 -157.27 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.8 m -126.05 134.94 51.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.0 tm? -87.83 137.99 31.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.828 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.4 m-70 -137.12 113.05 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HD12 ' A' ' 50' ' ' LEU . 10.8 mt -92.41 120.01 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -128.62 137.96 32.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.97 62.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.407 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 47' ' ' LYS . 10.7 t -110.5 162.31 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.09 -46.32 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -74.67 177.65 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -79.53 9.82 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 43' ' ' THR . 72.5 mmtt -95.87 172.96 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.467 HG21 HD22 ' A' ' 40' ' ' LEU . 92.9 m -112.85 140.27 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.59 113.59 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 40' ' ' LEU . 4.5 tp -85.73 136.9 33.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.5 tp -140.65 128.95 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.575 HG22 HD23 ' A' ' 38' ' ' LEU . 79.7 t -119.73 111.92 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HD3' ' NE2' ' A' ' 39' ' ' HIS . 8.5 ptm180 -93.05 142.2 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.19 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 5.8 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 12.2 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -92.68 112.94 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.46 -44.54 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 tp -157.75 119.08 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -125.42 120.88 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -152.75 163.72 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 48' ' ' THR . 14.7 mt -109.26 122.49 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.59 112.97 5.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.94 17.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -27.25 26.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.14 106.87 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttp -137.45 131.25 17.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.429 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.6 p -128.33 129.55 46.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.13 119.37 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 1.9 mmm180 -96.8 110.94 23.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.441 HG23 ' CB ' ' A' ' 80' ' ' ASN . 10.7 t -108.53 166.58 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.25 -153.8 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -97.25 -50.14 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' CB ' HG23 ' A' ' 76' ' ' THR . 23.2 m120 -95.33 143.48 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -134.99 122.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 HD12 ' A' ' 103' ' ' LEU . 10.3 tp -103.34 136.96 42.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.0 pt -146.11 146.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 99' ' ' PRO . 7.4 t -110.88 116.7 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.5 m -153.05 154.22 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.6 111.57 20.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.477 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.79 134.9 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.45 114.75 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 170.0 60.3 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.335 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.23 -37.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -134.52 145.36 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 15.3 pt-20 -84.49 -23.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -47.8 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.25 17.55 23.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -48.38 -67.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 96' ' ' ALA . 38.6 p -36.92 -48.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.7 160.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.4 Cg_endo -69.74 164.83 33.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.1 p -110.59 151.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -89.67 110.33 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.408 ' HG3' HG13 ' A' ' 100' ' ' VAL . 10.3 mtp -116.22 150.88 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 82' ' ' LEU . 4.5 tt -128.05 132.57 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.3 mt -101.09 143.74 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -132.08 117.13 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.86 177.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -71.15 -65.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 3.2 t -113.86 144.48 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 112' ' ' ALA . 9.4 t -45.1 -51.91 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 4.8 pt-20 -41.18 -32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 79.7 m-20 -71.22 -44.43 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -57.26 -51.52 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -46.92 -60.54 2.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.3 -43.48 61.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' HIS . 29.3 tp -58.92 -67.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 8.1 t-80 -36.5 -58.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' HIS . 28.9 tttp -37.02 -66.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.4 mt -37.09 -59.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.684 ' H ' HD12 ' A' ' 119' ' ' LEU . 6.8 mp -43.93 -38.62 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 123' ' ' LYS . 4.0 mm? -76.38 -40.96 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.29 -23.92 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -93.6 -46.22 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -59.44 -28.58 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.59 -49.47 68.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 17.0 p90 -56.21 -49.25 74.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -98.7 118.7 36.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -133.49 109.19 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.34 136.8 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.73 139.1 43.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -163.64 166.22 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 11.6 mtmm -113.65 136.55 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.85 146.54 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 83.9 m-85 -152.28 126.88 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 28.9 p90 -107.0 160.09 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -92.58 115.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -135.93 121.67 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.36 40.55 24.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.42 41.35 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -152.8 161.64 42.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -101.4 112.12 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 4.2 mmpt? -105.01 134.48 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 6.3 tt0 -62.83 130.4 44.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -94.6 -43.45 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.62 121.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.77 133.9 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.4 -152.12 8.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -131.15 149.38 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -96.44 142.79 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 59.2 m-70 -142.95 126.63 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.1 mt -103.48 128.43 50.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -121.26 135.75 25.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.96 18.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 24.6 p -92.22 153.0 19.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -32.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' THR . 7.8 m-20 -94.46 -179.32 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -73.15 6.07 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.676 ' HD2' HD21 ' A' ' 66' ' ' LEU . 51.6 mttt -83.01 173.25 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.874 ' O ' HD12 ' A' ' 66' ' ' LEU . 70.1 m -131.36 121.8 25.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 tt0 -91.11 153.46 20.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.5 tt -121.48 141.69 50.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 tp -143.27 143.52 31.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.67 123.2 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -97.6 127.47 43.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 177.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.17 121.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.3 mt -93.0 -50.56 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -146.62 125.27 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -133.68 102.29 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 86' ' ' VAL . 15.6 m -139.15 150.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 48' ' ' THR . 29.3 tp -95.48 133.94 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 ' HB ' ' A' ' 48' ' ' THR . 61.5 mt -61.82 110.94 3.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 170.08 17.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.87 31.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -146.5 123.02 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 ttp -152.23 119.58 3.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 133.16 24.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.55 134.5 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -140.38 122.89 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -91.82 131.25 37.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.1 t -140.62 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.86 -165.91 6.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -83.69 -55.81 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 26.6 p30 -117.86 17.92 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.596 ' HB3' HD11 ' A' ' 103' ' ' LEU . 11.0 m-20 -93.19 153.73 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.2 t -141.93 124.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 102' ' ' MET . 9.2 mt -100.39 124.77 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 pt -138.1 140.21 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.5 116.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.44 158.2 38.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.697 ' O ' HG11 ' A' ' 65' ' ' VAL . 86.0 t -77.17 121.3 84.39 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.81 41.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -144.2 113.37 5.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 170.09 60.24 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.321 -0.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.91 55.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.4 mt -87.88 -43.38 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.95 161.23 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -102.99 -37.44 7.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -37.78 -43.76 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -154.91 102.65 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.04 -51.61 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -40.57 -40.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtp -80.09 140.34 53.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 172.36 12.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.12 156.24 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.455 ' CG2' HD22 ' A' ' 82' ' ' LEU . 69.3 m -69.52 135.64 50.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.596 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.3 mmt -127.99 149.48 50.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 80' ' ' ASN . 1.2 tm? -130.99 118.7 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 103' ' ' LEU . 45.7 mt -103.08 120.74 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 105' ' ' ARG . 4.6 tmt_? -110.04 107.89 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 34.9 m -89.46 172.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -70.08 -40.59 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.6 p -132.24 139.62 48.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 33.4 t -50.44 -50.81 51.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.6 pt-20 -43.16 -39.27 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 10.2 m-20 -65.52 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.33 93.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -49.27 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.52 -49.47 75.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.3 -43.42 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.625 ' O ' HD23 ' A' ' 120' ' ' LEU . 26.6 t-80 -64.53 -43.94 92.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -59.58 -51.13 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.4 mt -53.62 -57.85 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.32 -38.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -74.64 -43.65 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.07 -48.56 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -78.15 9.77 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.494 ' CE ' HD13 ' A' ' 120' ' ' LEU . 11.2 ttpp -130.81 101.97 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t70 62.88 42.15 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.788 0.327 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.6 p90 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 17.2 t80 -86.81 121.39 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.1 p -141.79 115.91 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' C ' HG23 ' A' ' 37' ' ' THR . 14.1 tppt? -152.88 129.37 10.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -61.76 142.66 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.63 177.54 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.2 mtmt -112.52 160.19 18.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -118.06 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 56.7 m-85 -149.44 145.8 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 2.8 p90 -129.34 153.07 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -84.91 107.16 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 50.4 mttp -142.03 137.69 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 55.27 36.32 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 56.93 35.1 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -154.26 142.93 20.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -83.66 112.14 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 31.3 mttp -105.17 164.9 11.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 35' ' ' ILE . 22.0 tt0 -96.08 124.9 40.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 24' ' ' TYR . 37.3 tttt -88.87 -44.6 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.63 137.64 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' A' ' 21' ' ' LYS . 28.8 mm -80.68 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 55' ' ' ASP . . . 171.9 -156.62 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 18' ' ' LYS . 25.2 m -129.84 146.69 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.4 tt -92.81 139.24 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -141.8 124.8 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 50' ' ' LEU . 67.4 mt -107.4 128.13 54.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -128.54 133.45 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.95 18.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 23.3 p -80.09 158.04 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.23 -27.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 3.1 m120 -102.52 -179.0 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.19 2.65 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -78.51 174.14 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 67' ' ' ILE . 98.1 m -131.33 134.34 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 14.6 tt0 -114.74 143.26 45.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 51' ' ' LEU . 9.0 tt -103.13 145.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 40.9 tp -144.71 147.2 32.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.2 t -138.62 129.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -100.93 146.82 26.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.67 167.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' HB2' HG22 ' A' ' 35' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.0 t30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.2 mt -98.74 117.68 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.01 -49.9 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 tp -150.45 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 64' ' ' ASN . 19.2 t-20 -137.43 104.39 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 32.0 m -146.46 177.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mt -107.39 148.26 29.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 48' ' ' THR . 88.1 mt -60.34 121.69 61.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.66 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 54.0 Cg_endo -69.81 108.14 2.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 2.6 m120 66.3 47.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.734 ' N ' ' HZ3' ' A' ' 123' ' ' LYS . 13.9 tmm? -53.34 122.83 32.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 127.29 14.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 32.1 p -109.81 133.23 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.42 107.04 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 tpt85 -84.12 116.33 22.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -123.43 163.14 21.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.95 12.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -97.98 -50.86 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 46.1 p30 -117.68 17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -93.22 138.81 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.21 104.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD13 HD12 ' A' ' 103' ' ' LEU . 10.2 tp -87.87 144.49 26.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 pt -157.27 151.25 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.74 115.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 p -155.5 152.85 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.433 ' O ' HG11 ' A' ' 65' ' ' VAL . 84.2 t -69.34 120.77 79.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.16 6.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 29.0 t30 -119.6 118.37 32.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.04 65.32 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.346 -0.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 104.11 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -49.26 -42.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.98 176.77 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.77 -35.3 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -60.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.09 17.76 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.97 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 p -41.28 -49.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.7 mtp -76.77 144.49 73.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.7 18.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.22 152.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.9 m -69.24 107.71 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.9 mtp -107.53 135.73 48.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.494 HD12 HD13 ' A' ' 82' ' ' LEU . 1.9 tt -115.92 142.41 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.436 ' N ' HD23 ' A' ' 103' ' ' LEU . 18.9 mt -116.15 133.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -121.39 106.94 11.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 111' ' ' ASP . 10.3 p -86.63 168.04 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -66.86 -53.28 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.8 p -120.12 127.33 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' ALA . 47.3 t -42.8 -50.99 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' SER . 6.8 pt-20 -35.91 -41.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 106' ' ' VAL . 16.1 t70 -66.64 -47.43 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -51.95 -53.04 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.98 -54.39 42.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.53 -44.98 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.618 ' HA ' HD12 ' A' ' 119' ' ' LEU . 22.0 t-80 -68.06 -54.65 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -41.74 -66.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 121' ' ' GLU . 39.8 mt -39.75 -61.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 116' ' ' HIS . 16.2 mt -38.61 -55.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 4.2 mm? -54.66 -38.28 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 118' ' ' ILE . 60.3 mm-40 -69.41 -49.34 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -53.9 -48.7 69.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.734 ' HZ3' ' N ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -75.35 -41.16 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 5.0 m-20 -45.63 -54.92 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 122' ' ' LYS . 44.7 p90 -80.73 -47.65 13.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 79.3 t80 -98.33 112.11 24.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.6 p -132.91 116.48 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 137.72 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -71.67 145.2 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -167.51 163.73 14.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' PHE . 11.2 ttmt -95.02 159.22 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 52' ' ' VAL . 13.7 mt -125.76 144.95 50.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 96.4 m-85 -148.96 154.92 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -136.97 141.51 42.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -86.03 103.61 14.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -129.51 122.08 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 63.45 42.11 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 58.21 46.1 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -156.8 154.13 29.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -104.88 107.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -114.9 122.81 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -60.08 144.2 50.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG3' HD22 ' A' ' 62' ' ' LEU . 22.2 tptp -96.12 -30.54 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.69 138.32 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 130.8 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 -153.15 7.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.3 m -132.59 142.35 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HG ' ' A' ' 40' ' ' LEU . 5.6 tt -91.2 143.22 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -138.52 113.28 9.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.572 ' HG ' HD21 ' A' ' 38' ' ' LEU . 29.6 mt -94.57 113.67 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.3 140.44 37.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.544 0.688 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.35 68.86 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 45' ' ' ASN . 10.4 t -118.68 170.74 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.82 -33.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' H ' HG23 ' A' ' 43' ' ' THR . 41.0 t30 -93.54 163.33 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -62.81 -7.77 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -81.77 168.18 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.821 ' O ' HD12 ' A' ' 66' ' ' LEU . 87.2 m -106.86 152.51 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.54 121.65 45.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -84.18 117.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 50' ' ' LEU . 23.5 tp -130.82 125.45 33.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 22' ' ' LEU . 86.9 t -115.19 113.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -92.61 117.23 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -63.2 161.89 12.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 37.9 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.55 127.02 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 19.9 mt -97.37 -44.45 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 88' ' ' ASN . 21.7 tp -155.3 117.63 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -129.56 107.49 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -147.41 171.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 48' ' ' THR . 19.5 tp -113.0 117.24 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' HB ' ' A' ' 48' ' ' THR . 94.6 mt -52.74 109.96 1.71 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.89 17.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.95 22.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -139.74 106.17 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ttp -143.84 113.72 5.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.22 42.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.5 t -124.42 142.79 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.22 114.71 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -81.91 125.37 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 t -131.66 155.08 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.39 -158.07 23.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.63 -50.97 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -114.27 15.68 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -101.39 151.64 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -142.7 120.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 83' ' ' ILE . 12.0 mt -97.61 141.14 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' LEU . 11.8 pt -157.54 142.55 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.9 t -101.0 118.02 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.7 p -155.25 152.1 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.0 111.69 9.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.1 m-20 -120.74 116.61 31.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.0 Cg_endo -69.78 167.18 72.02 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.358 -0.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.36 60.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.67 -42.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.0 p-10 -140.5 176.94 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.98 -34.94 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.81 -62.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -88.99 15.53 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -53.15 -56.54 15.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 t -57.58 -20.42 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.478 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 ttt -95.58 139.98 22.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 54.4 Cg_endo -69.73 161.81 44.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.11 156.16 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 138.59 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.87 138.1 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.71 119.38 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.95 113.14 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -110.03 129.78 55.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 107' ' ' LYS . 6.2 p -98.43 168.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.559 ' H ' HG22 ' A' ' 106' ' ' VAL . 28.7 ttpp -61.16 -53.96 50.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 46.1 p -113.26 134.31 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.9 p -47.04 -52.02 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.14 -50.24 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.6 m-20 -52.28 -45.29 65.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.444 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -57.48 -47.41 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.09 -40.66 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.7 tp10 -68.64 -53.57 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -44.0 -48.25 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 120' ' ' LEU . 19.7 t-80 -54.25 -48.05 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' LEU . 2.8 mptm? -67.03 -58.8 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 73.2 mt -41.45 -45.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' CE1' ' A' ' 116' ' ' HIS . 93.3 mt -79.38 -26.76 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -80.21 -31.16 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 33.4 mmtm -78.64 -44.19 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -56.47 -33.75 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 125' ' ' ALA . 0.4 OUTLIER -79.19 -45.66 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 15.3 p90 -88.9 -45.25 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 47.8 t80 -91.86 118.88 31.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -135.17 121.12 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 139.29 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -69.29 144.96 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -165.28 169.05 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 20.2 mttm -116.4 125.33 51.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.75 127.26 34.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 98.0 m-85 -126.82 125.61 41.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 27.7 p90 -107.8 150.6 26.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 38.9 tptt -97.8 117.64 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -141.05 142.65 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 52.54 33.51 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 65.46 39.68 5.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -100.31 116.95 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 20.2 mmmt -116.06 133.94 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -66.46 130.0 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 30.0 tptt -86.09 -41.98 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.94 134.37 1.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -71.48 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.56 -164.14 21.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -122.76 140.08 53.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.7 tm? -90.54 137.0 32.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.781 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.4 m-70 -135.57 111.78 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 49' ' ' GLN . 11.4 mt -97.05 106.47 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 136.27 19.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.23 20.82 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 18.6 p -88.46 159.75 17.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.02 -32.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 2.5 t-20 -94.59 -178.85 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -75.54 10.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -85.67 178.72 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.642 ' CG2' HD22 ' A' ' 40' ' ' LEU . 31.5 m -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.755 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 tt0 -96.52 149.33 21.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.41 114.11 20.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD13 ' A' ' 50' ' ' LEU . 14.5 tp -134.09 133.91 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG22 HD23 ' A' ' 38' ' ' LEU . 82.7 t -122.77 127.41 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.82 142.34 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.15 170.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.82 125.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.19 -46.55 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -155.18 115.17 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -125.19 102.39 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 86' ' ' VAL . 21.6 m -140.06 147.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 48' ' ' THR . 47.8 tp -87.77 131.36 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' A' ' 48' ' ' THR . 89.6 mt -63.97 112.01 6.56 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.89 17.88 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -5.5 16.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.84 117.7 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttt -147.14 119.56 4.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.56 19.56 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 9.0 m -112.28 146.19 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.405 ' CB ' ' HB3' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -143.81 117.71 9.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -85.58 127.62 34.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -140.82 139.65 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.33 -148.39 50.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -117.69 -37.99 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -117.91 17.94 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HB3' HD21 ' A' ' 103' ' ' LEU . 14.1 m-80 -115.54 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.69 109.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -86.82 124.4 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.8 pt -152.1 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 99' ' ' PRO . 19.5 t -116.72 126.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 p -155.35 147.72 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' O ' HG11 ' A' ' 65' ' ' VAL . 88.1 t -73.85 119.67 77.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.75 123.45 10.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -127.19 115.57 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.21 91.22 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.373 -0.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 144.78 55.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.84 -41.51 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -131.91 120.44 22.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.4 pt-20 -52.73 -25.71 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -54.2 46.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.73 16.32 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -44.26 -50.6 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.7 m -65.76 -43.03 90.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.73 132.38 74.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.7 Cg_endo -69.75 162.89 40.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 87' ' ' PRO . 20.4 m -122.12 159.66 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 82' ' ' LEU . 98.9 m -70.64 103.27 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.82 145.52 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 82' ' ' LEU . 9.3 tt -136.1 146.52 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.579 ' N ' HD23 ' A' ' 103' ' ' LEU . 5.2 mp -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -101.81 120.06 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 112' ' ' ALA . 34.7 m -100.0 166.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -60.95 -62.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 46.1 p -111.97 142.73 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -49.77 -41.06 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.8 pt-20 -51.89 -38.23 55.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 53.5 m-20 -64.36 -41.12 96.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.07 -59.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -44.13 -48.35 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -55.71 -62.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.67 -44.54 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.407 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 10.8 t-80 -63.29 -46.37 87.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -56.89 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLU . 80.2 mt -47.39 -66.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.02 -49.54 3.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.55 -37.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.6 mm-40 -75.09 -41.14 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.43 -45.74 91.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 21.2 pttt -63.01 -37.28 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 5.5 t0 -48.62 -52.56 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 38.9 p90 -78.64 -48.27 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.0 120.04 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 p -139.01 111.84 7.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -146.89 128.48 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' H ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.7 139.66 56.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 p -161.12 162.5 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HG3' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -93.76 173.27 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 52' ' ' VAL . 11.6 mt -139.49 139.54 37.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 53.0 m-85 -151.08 138.47 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 21.6 p90 -118.58 150.7 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -88.58 116.9 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.24 127.69 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 55.96 39.18 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.9 t30 61.15 44.73 9.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -156.72 147.06 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.97 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 27.9 mmtt -94.43 158.66 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -92.36 121.07 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -40.47 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.33 2.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 21' ' ' LYS . 11.0 mm -72.4 149.41 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.93 -157.77 24.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -128.88 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -90.11 139.38 30.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -138.23 122.49 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 37.1 mt -103.67 115.53 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -124.42 144.71 46.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.6 30.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 47' ' ' LYS . 8.1 t -100.27 172.23 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.45 -43.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -91.06 176.59 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.87 2.47 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 43' ' ' THR . 26.1 mtpp -81.12 168.42 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 40' ' ' LEU . 91.6 m -108.14 136.58 47.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' A' ' 66' ' ' LEU . 21.5 tt0 -100.59 117.23 34.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 50' ' ' LEU . 1.1 tm? -81.8 118.3 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.7 141.6 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 22' ' ' LEU . 86.8 t -135.22 113.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.06 135.25 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.91 174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.36 110.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.29 -53.64 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -150.43 120.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.4 105.93 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.57 159.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 49' ' ' GLN . 17.0 mt -98.76 135.26 40.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 119' ' ' LEU . 56.7 mt -67.98 112.32 10.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.5 21.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.14 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.35 109.27 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.2 ttp -143.04 122.19 7.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.21 14.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 72.9 m -114.14 133.8 55.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -137.01 117.34 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -92.08 111.85 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 82' ' ' LEU . 10.6 t -115.25 166.52 11.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.14 -153.13 35.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -97.1 -55.94 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 23.7 p-10 -117.07 17.14 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.01 151.11 21.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.15 105.5 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' CD1' HG21 ' A' ' 76' ' ' THR . 11.0 mt -92.59 139.5 30.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 pt -154.2 166.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 99' ' ' PRO . 3.8 t -118.82 113.09 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.22 146.77 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.15 118.35 60.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.423 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 4.2 m120 -125.46 120.09 24.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.79 161.15 86.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.97 43.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -78.02 -42.41 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.28 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -114.86 -34.3 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -79.47 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -79.76 11.15 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.33 -65.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -43.2 -49.24 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.0 ttt -64.64 133.5 95.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.671 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.79 156.3 63.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.57 152.39 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.501 ' CG2' HD22 ' A' ' 82' ' ' LEU . 7.6 m -68.95 133.73 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' HD23 ' A' ' 82' ' ' LEU . 8.4 mtp -130.81 142.97 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.27 139.23 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.4 mt -127.36 127.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -103.47 115.85 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.628 HG21 ' N ' ' A' ' 112' ' ' ALA . 27.5 m -97.03 177.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -49.52 -61.64 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 p -145.69 168.55 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -47.68 -30.93 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 2.0 tp10 -65.58 -40.98 93.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.17 -36.85 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.628 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.56 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -39.25 -61.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -44.47 -55.35 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.14 -59.11 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 53.7 t-80 -47.54 -64.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -38.3 -66.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.8 mt -37.13 -65.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -44.17 -44.68 7.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.88 -58.92 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.53 -53.48 4.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -67.79 -42.6 81.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' ASP . 13.7 ttpp -44.27 -46.57 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' LYS . 20.2 t0 -37.91 -59.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 40' ' ' LEU . 43.0 p90 -93.95 -48.75 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 72.5 t80 -95.27 114.14 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -132.85 105.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -141.8 126.17 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 141.24 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -162.26 174.94 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -120.36 141.25 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.31 141.34 29.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -140.38 123.98 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -111.76 153.5 26.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -85.67 114.91 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -134.22 122.51 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.32 40.31 11.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.09 42.65 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -159.46 160.17 34.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -91.8 125.13 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -114.88 163.5 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -92.85 116.7 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -81.67 -43.14 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.31 141.38 3.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -85.76 120.89 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.94 -159.21 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.5 m -125.16 149.84 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 50' ' ' LEU . 10.3 tt -101.07 141.19 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -133.09 142.41 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 50' ' ' LEU . 53.9 mt -131.85 117.51 18.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.32 149.16 66.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.49 45.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -98.36 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.16 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 17.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 58.93 38.36 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HD3' HD21 ' A' ' 66' ' ' LEU . 3.0 mtpm? -119.52 177.76 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.2 m -115.94 108.26 16.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -93.46 138.17 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 40' ' ' LEU . 5.4 tp -97.44 130.36 44.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 tp -140.27 142.17 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -129.21 127.13 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.8 132.3 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.3 171.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -81.85 117.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -85.75 -50.93 6.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 88' ' ' ASN . 4.2 tp -151.49 118.67 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -125.25 103.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.7 m -146.61 154.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD21 ' HD3' ' A' ' 47' ' ' LYS . 49.2 tp -95.61 144.73 25.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 70.9 mt -67.94 111.88 9.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.749 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.76 169.67 18.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.19 14.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -123.71 113.34 18.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 ttt -146.34 117.98 4.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.22 53.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.424 ' SG ' HD11 ' A' ' 120' ' ' LEU . 30.0 p -124.51 135.25 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 p -140.32 108.07 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.669 ' NH1' ' HB1' ' A' ' 112' ' ' ALA . 6.6 mmm180 -83.34 115.06 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -116.43 131.65 56.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.51 -150.03 41.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -118.02 -32.94 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.438 ' ND2' ' HE ' ' A' ' 105' ' ' ARG . 4.1 p-10 -117.99 18.0 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 103' ' ' LEU . 61.4 m-20 -127.43 147.47 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.39 118.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 102' ' ' MET . 10.0 mt -91.03 128.55 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.9 pt -140.16 147.95 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.8 t -107.63 111.75 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 76.0 m -150.4 157.37 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.88 117.67 63.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.738 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.1 Cg_endo -69.84 132.23 22.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 t-20 -128.47 114.28 19.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.589 0.709 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.3 Cg_endo -69.79 166.8 73.19 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.312 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.34 53.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.419 HG22 ' OD1' ' A' ' 92' ' ' ASP . 34.1 mm -59.64 -44.21 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.756 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 m-20 -139.75 165.51 27.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.28 -28.61 38.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -73.96 -48.0 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -100.66 17.4 21.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -59.02 -46.07 89.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 84.8 m -63.97 -40.3 96.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.7 mtt -79.61 142.88 58.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 165.79 29.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.429 HG22 ' HD3' ' A' ' 87' ' ' PRO . 5.6 m -128.55 151.72 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.446 ' CG2' HD22 ' A' ' 82' ' ' LEU . 34.0 m -69.05 137.0 53.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.553 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.6 mtt -132.26 150.8 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 80' ' ' ASN . 1.9 tm? -131.85 118.1 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.6 mt -93.0 113.8 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.438 ' HE ' ' ND2' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -100.59 112.23 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.94 164.22 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.98 -51.05 43.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.9 p -110.86 142.59 42.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.2 p -55.76 -46.7 77.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.75 -47.35 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.45 -48.5 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' ' NH1' ' A' ' 75' ' ' ARG . . . -52.56 -56.97 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -46.03 -47.76 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.64 -51.48 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 104' ' ' ILE . 22.0 tp -48.27 -50.05 31.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.675 ' O ' HD23 ' A' ' 120' ' ' LEU . 36.5 t-80 -57.1 -55.23 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.8 -60.7 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' HA ' ' CD ' ' A' ' 121' ' ' GLU . 70.0 mt -48.86 -39.56 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.71 -33.99 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.5 mm? -76.3 -47.68 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.474 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 9.8 pt-20 -64.24 -43.82 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -56.95 -45.24 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -71.69 -34.41 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.1 t70 -49.5 -50.43 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 50.1 p90 -68.72 -46.04 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' A' ' 118' ' ' ILE . 47.8 t80 -98.58 119.02 36.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -132.08 106.22 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -137.42 135.82 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.72 139.86 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.2 p -164.91 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.9 168.57 9.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.65 133.93 44.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.97 151.69 48.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.834 ' CD2' HD13 ' A' ' 91' ' ' ILE . 4.6 p90 -134.19 151.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -87.69 111.82 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -132.2 125.54 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.67 43.69 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 59.29 39.16 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.74 167.39 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.89 123.53 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -118.42 153.16 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -91.37 -41.8 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.42 127.9 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.7 mt -74.8 140.38 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.56 -157.69 13.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.4 m -125.16 134.71 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 39' ' ' HIS . 3.4 tm? -86.1 136.92 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.7 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.7 m-70 -133.17 120.45 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 38' ' ' LEU . 13.3 mt -104.03 134.57 47.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -147.05 134.51 10.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.678 . . . . 0.0 110.907 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.29 53.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.4 p -100.81 166.45 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.13 64.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -83.99 13.42 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.81 36.84 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.4 mtpp -107.57 178.4 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.525 HG22 HD12 ' A' ' 67' ' ' ILE . 24.3 m -121.24 105.17 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -97.59 147.25 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.5 tp -104.81 134.79 47.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -143.73 122.05 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' HD23 ' A' ' 38' ' ' LEU . 81.5 t -119.51 115.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -88.19 137.69 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.06 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.18 121.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.98 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.66 117.83 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 20.2 t-20 -125.39 107.49 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.9 m -143.92 152.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 47' ' ' LYS . 21.5 tp -91.63 119.26 31.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.696 HG23 ' SD ' ' A' ' 71' ' ' MET . 94.6 mt -56.44 108.83 1.34 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' MET . 53.8 Cg_endo -69.79 164.68 33.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.6 18.09 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.696 ' SD ' HG23 ' A' ' 67' ' ' ILE . 10.7 ttp -52.09 107.13 0.76 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.588 0.709 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 53.9 Cg_endo -69.77 126.12 12.93 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.664 ' HG ' ' CD2' ' A' ' 116' ' ' HIS . 6.4 t -115.8 136.99 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -134.62 107.46 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -74.93 115.39 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.701 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.5 t -114.63 151.71 33.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.3 -144.42 6.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -117.67 -32.57 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.517 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -118.0 5.58 12.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.701 ' HB2' HG23 ' A' ' 76' ' ' THR . 35.2 m-20 -103.9 152.12 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.7 t -141.92 114.56 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 102' ' ' MET . 11.0 mt -97.92 142.22 29.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' LEU . 22.2 pt -157.4 166.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -119.1 119.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.83 144.99 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.58 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.9 t -69.13 117.52 52.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.2 7.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -126.13 116.5 23.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.08 84.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.344 -0.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.52 42.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.834 HD13 ' CD2' ' A' ' 24' ' ' TYR . 35.3 mt -77.35 -41.27 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.26 153.29 24.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -100.05 -32.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 1.6 mmpt? -45.84 -38.24 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -157.53 103.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.67 -44.2 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -47.6 -27.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.5 ttt -89.26 129.8 46.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.81 20.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 m -130.94 155.8 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.506 ' CG2' HD22 ' A' ' 82' ' ' LEU . 40.3 m -70.6 138.58 50.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.619 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.6 mtp -128.6 149.21 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -127.16 121.56 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.587 ' N ' HD13 ' A' ' 103' ' ' LEU . 57.5 mt -106.2 114.34 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -108.72 109.92 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 107' ' ' LYS . 14.1 p -92.73 161.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.9 tppt? -47.1 -65.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 106' ' ' VAL . 78.5 p -111.57 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.7 p -56.13 -50.94 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.35 -40.17 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 106' ' ' VAL . 9.5 m-20 -59.64 -47.82 84.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.48 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -51.88 -51.46 56.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -38.33 -57.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.8 -54.62 44.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' HG ' ' A' ' 73' ' ' CYS . 51.7 t-80 -52.61 -38.84 60.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -66.84 -57.53 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 16' ' ' TYR . 55.1 mt -42.63 -45.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 116' ' ' HIS . 22.7 mt -56.47 -47.64 78.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 116' ' ' HIS . 82.5 mt -67.29 -65.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.468 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 13.0 pt-20 -41.73 -45.42 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -74.13 -42.78 59.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -42.32 -58.48 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -52.46 -52.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.85 0.357 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.7 p90 -56.97 -41.94 79.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 39.3 t80 -111.18 111.33 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -132.13 118.99 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -154.38 129.37 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -61.48 138.46 58.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 19.7 p -160.06 163.0 34.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -93.45 175.06 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.17 126.37 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 40.4 m-85 -134.45 140.81 46.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 52.3 p90 -123.86 144.74 49.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -87.22 109.39 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -134.25 123.25 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 61.78 41.0 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m120 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -157.07 145.25 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -93.69 119.55 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 mmpt? -112.92 132.86 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -66.26 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -70.2 -42.67 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.51 124.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -62.95 133.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.96 179.66 38.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 m -103.21 128.84 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -85.33 139.48 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.741 ' N ' HD13 ' A' ' 38' ' ' LEU . 20.1 m-70 -139.25 130.03 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 50' ' ' LEU . 90.0 mt -106.3 121.07 43.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -119.47 128.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.03 55.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 p -109.24 162.7 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.51 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -88.01 12.64 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 62.28 32.76 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.859 ' HB3' HD11 ' A' ' 66' ' ' LEU . 29.6 mmtm -108.21 176.05 5.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 66' ' ' LEU . 59.9 m -118.54 111.12 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -97.4 121.01 38.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD21 ' A' ' 40' ' ' LEU . 2.0 tp -80.92 133.49 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.76 112.92 6.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.58 131.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -101.33 138.25 38.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 139.17 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.2 119.09 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.74 -48.21 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD12 ' H ' ' A' ' 88' ' ' ASN . 11.8 tp -151.02 113.65 4.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.56 106.39 10.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.7 m -148.9 157.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' ' 47' ' ' LYS . 27.1 tp -98.47 136.63 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 119' ' ' LEU . 85.7 mt -64.48 111.93 6.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.09 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.31 3.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -113.23 114.49 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -153.61 123.95 3.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.52 136.12 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.6 p -142.54 111.18 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.538 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.9 mmm180 -96.24 120.29 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 80' ' ' ASN . 1.7 t -117.37 166.72 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 43.96 -155.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -97.8 -41.04 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -117.47 17.03 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.72 ' CB ' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.62 131.39 46.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.99 110.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.68 132.04 41.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.2 pt -146.41 137.93 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.02 114.82 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -153.65 162.51 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.607 ' O ' HG11 ' A' ' 65' ' ' VAL . 81.1 t -77.28 119.62 78.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.3 Cg_endo -69.75 129.47 17.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.571 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.9 m120 -124.66 118.07 26.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.8 165.62 76.29 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.291 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.82 13.79 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.63 -45.78 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 4.2 t0 -105.99 149.76 26.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.49 -44.61 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.07 -52.65 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.8 m120 -75.56 -3.19 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -36.47 -65.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.9 p -50.1 -47.72 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.11 136.4 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.5 m -140.18 158.84 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.2 m -69.06 135.51 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.0 mtp -139.09 126.05 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 104' ' ' ILE . 10.3 tt -113.17 143.95 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.408 ' N ' HD23 ' A' ' 103' ' ' LEU . 83.8 mt -123.0 133.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -119.09 102.45 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' THR . 29.8 m -82.63 157.67 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -58.31 6.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 106' ' ' VAL . 3.5 t -112.25 149.83 31.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.6 p -58.51 -50.05 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -43.78 -46.17 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' H ' HG23 ' A' ' 108' ' ' THR . 16.3 m-20 -52.35 -44.2 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -44.88 -36.56 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' LEU . 8.6 mm-40 -76.76 -66.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 19.7 tp -35.01 -47.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.3 t-80 -65.37 -58.54 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -50.72 -63.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.8 mt -44.42 -43.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.552 ' CD2' HD11 ' A' ' 67' ' ' ILE . 22.0 mt -61.52 -32.18 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.63 -35.07 30.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.69 -44.59 63.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -57.85 -47.42 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -34.54 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -57.42 -52.64 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.774 0.321 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 16.3 p90 -64.29 -39.6 94.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -106.51 120.43 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 3.6 t -141.92 116.94 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 139.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -70.23 152.93 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -167.98 174.94 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -110.39 126.06 53.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.44 134.56 33.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -139.65 135.73 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 10.2 p90 -123.7 141.78 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -86.32 105.13 16.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -127.33 121.01 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.39 38.67 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 t30 62.47 42.01 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -154.14 146.42 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.85 112.21 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 7.3 mmpt? -110.91 148.59 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.15 119.3 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.02 -38.68 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.73 130.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 36' ' ' GLY . 16.2 mt -74.72 152.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 179.01 -145.29 6.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -133.34 120.85 21.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -84.98 137.54 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' N ' HD22 ' A' ' 38' ' ' LEU . 59.3 m-70 -131.45 142.07 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 12.5 mt -121.65 118.14 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 150.37 52.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 45' ' ' ASN . 14.2 t -121.94 177.32 5.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.96 -39.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.602 ' H ' HG23 ' A' ' 43' ' ' THR . 3.8 m120 -101.32 162.41 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -57.39 164.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.615 ' O ' HD12 ' A' ' 66' ' ' LEU . 94.4 m -112.08 131.22 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.45 132.4 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.859 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -98.47 125.41 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.7 tp -139.14 141.42 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 38' ' ' LEU . 92.7 t -129.32 121.71 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -85.73 155.62 20.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.6 147.42 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.03 -45.83 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -154.77 113.49 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -120.54 105.27 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 28.2 m -148.52 148.79 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 48' ' ' THR . 15.9 tp -90.87 136.78 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.78 113.95 17.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.03 17.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.12 24.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.34 111.07 13.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttp -139.79 121.44 9.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.529 0.68 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 136.7 33.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.633 ' SG ' HD21 ' A' ' 120' ' ' LEU . 28.2 p -118.73 132.2 56.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 p -134.45 107.97 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 tpt85 -80.47 113.41 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.2 t -112.06 159.83 18.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.92 -156.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 23.0 pttp -95.08 -48.75 5.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 20.4 p-10 -109.52 15.94 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.795 ' HB2' HG23 ' A' ' 76' ' ' THR . 18.6 m120 -103.33 137.28 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 31.8 t -133.44 116.14 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.488 HD22 ' CG2' ' A' ' 101' ' ' THR . 11.0 mt -96.86 133.15 41.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.78 140.57 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 t -100.87 111.96 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -152.31 150.45 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.73 117.09 50.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.5 Cg_endo -69.82 126.66 13.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 2.5 m120 -123.02 121.14 27.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.74 165.67 75.99 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.35 -0.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.63 45.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.13 -43.81 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t0 -113.55 152.2 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.29 -12.82 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.63 -37.01 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -101.26 0.79 38.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -37.34 -63.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.0 p -49.64 -47.97 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.2 ttt -70.18 135.63 86.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.539 0.685 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.2 35.43 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.443 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.4 m -127.99 155.77 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.488 ' CG2' HD22 ' A' ' 82' ' ' LEU . 18.6 m -71.03 136.7 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 mtp -130.77 142.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -124.02 122.9 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.624 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.0 mt -107.4 118.19 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -104.1 114.01 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.43 165.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.707 ' HG3' HG22 ' A' ' 108' ' ' THR . 2.4 ptmm? -50.98 -58.77 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.707 HG22 ' HG3' ' A' ' 107' ' ' LYS . 1.8 t -129.77 144.55 51.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 112' ' ' ALA . 91.7 p -45.2 -55.21 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.564 ' HG2' HG23 ' A' ' 108' ' ' THR . 4.6 pt-20 -38.53 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' SER . 3.7 t70 -73.92 -46.96 41.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLU . . . -57.25 -43.16 82.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -40.22 -25.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.555 ' CG ' HD11 ' A' ' 118' ' ' ILE . 3.9 tp10 -92.85 -55.75 3.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.592 HD23 HG21 ' A' ' 81' ' ' VAL . 20.5 tp -39.45 -28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' GLU . 44.9 t-80 -80.83 -69.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.0 ptmt -44.71 -48.85 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 114' ' ' GLU . 73.3 mt -50.47 -58.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.45 -44.7 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.633 HD21 ' SG ' ' A' ' 73' ' ' CYS . 21.7 mt -62.25 -36.82 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -70.85 -40.48 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HD3' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.21 -42.39 81.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.587 ' CE ' HD23 ' A' ' 120' ' ' LEU . 9.8 pttp -80.15 -41.45 25.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 8.0 m-20 -58.58 -54.4 47.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.831 0.348 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 33.8 p90 -97.49 -50.18 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -123.36 120.1 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -149.55 132.75 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -73.44 142.48 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 p -167.51 174.3 7.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -103.73 162.12 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -128.95 137.62 51.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -143.36 130.08 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 14.3 p90 -110.07 143.57 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -87.42 111.21 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -137.25 138.12 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.1 40.55 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 57.73 47.28 15.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -162.46 154.28 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -98.41 120.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 4.9 mmpt? -121.83 121.24 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.39 132.81 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -89.05 -41.79 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.18 122.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.72 135.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.01 -158.9 20.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.9 m -124.92 137.16 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 50' ' ' LEU . 2.3 tt -89.3 146.04 24.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 97.3 m-70 -135.89 114.13 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 11.6 mt -95.93 117.86 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -131.63 135.4 26.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.796 HG22 ' C ' ' A' ' 47' ' ' LYS . 5.0 t -103.06 171.05 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 43' ' ' THR . . . -64.26 172.65 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 m120 61.19 31.97 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 51.21 45.18 28.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.796 ' C ' HG22 ' A' ' 43' ' ' THR . 21.4 mmtt -121.46 172.21 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.535 ' O ' HD13 ' A' ' 66' ' ' LEU . 89.6 m -126.2 125.19 42.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -95.6 125.91 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.681 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 tm? -95.34 116.4 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.671 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.1 tp -123.61 145.44 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.39 122.62 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -97.59 147.64 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 147.77 49.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.82 112.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 62' ' ' LEU . 12.6 mt -80.43 -45.02 18.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 88' ' ' ASN . 13.9 tp -157.7 112.37 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -119.8 102.15 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 m -149.8 162.86 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 43' ' ' THR . 4.3 mm? -83.34 166.88 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 65.6 mt -113.06 102.01 54.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.684 0.754 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.73 150.98 69.13 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.98 29.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -88.0 16.99 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -75.23 119.81 78.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.34 24.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 16.7 p -141.51 133.32 27.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -144.06 102.03 3.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 80' ' ' ASN . 3.6 mmm180 -85.56 129.54 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.739 HG23 ' HB2' ' A' ' 80' ' ' ASN . 5.9 t -125.52 146.92 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.71 -142.72 48.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 78' ' ' LYS . 3.0 ttmp? -117.96 -36.57 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -115.76 13.56 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.739 ' HB2' HG23 ' A' ' 76' ' ' THR . 10.9 m120 -115.3 149.25 38.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 116' ' ' HIS . 11.9 p -152.63 122.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 101' ' ' THR . 16.3 mt -92.13 152.25 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 82' ' ' LEU . 2.4 pp -158.36 152.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.6 121.15 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.2 p -154.8 157.91 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.25 123.86 70.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.064 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.81 131.21 20.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 63' ' ' LEU . 41.6 t30 -134.76 112.59 11.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.75 170.0 60.56 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.337 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 55.2 mt -92.97 -40.92 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -114.08 117.52 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.0 tt0 -61.41 -45.08 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' GLU . 14.1 mmtp -34.29 -44.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -152.73 102.79 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -92.64 -60.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' ALA . 41.0 m -35.71 -42.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 ttt -65.2 131.63 95.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.464 HG22 ' HD3' ' A' ' 87' ' ' PRO . 6.4 m -136.46 153.93 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 82' ' ' LEU . 95.3 m -71.47 132.72 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtt -132.79 126.87 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tt -106.63 138.67 42.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.675 HD13 HD21 ' A' ' 115' ' ' LEU . 45.5 mt -119.55 117.34 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.32 103.16 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.773 HG21 ' N ' ' A' ' 112' ' ' ALA . 8.0 m -87.29 178.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.41 -67.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.411 ' HB ' ' CD ' ' A' ' 110' ' ' GLU . 81.8 p -82.98 151.84 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 p -66.16 -47.15 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 24.5 pm0 -54.65 -28.72 49.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' N ' ' HG2' ' A' ' 110' ' ' GLU . 6.5 m-20 -66.52 -54.83 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.773 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -48.9 -58.8 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.58 -42.35 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.96 -36.84 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.675 HD21 HD13 ' A' ' 104' ' ' ILE . 31.6 tp -69.6 -57.86 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HB2' HG21 ' A' ' 81' ' ' VAL . 9.6 t-80 -51.0 -42.88 60.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -59.84 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.564 HG22 ' HD3' ' A' ' 122' ' ' LYS . 57.9 mt -38.79 -54.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.32 -53.65 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 73' ' ' CYS . 53.2 mt -47.82 -36.05 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.68 -57.26 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HD3' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -50.65 -46.06 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 30.9 pttt -62.16 -43.3 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.484 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 28.2 m-20 -50.54 -48.99 57.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.849 0.357 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 37.3 p90 -75.36 -49.08 20.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 38.1 t80 -83.92 108.75 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -126.55 108.25 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -146.97 136.14 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 140.54 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 105' ' ' ARG . 16.8 p -162.11 159.18 25.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -95.53 168.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.33 134.92 44.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 10.9 m-85 -140.88 153.89 45.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -134.19 153.17 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -89.44 114.03 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 126.26 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t0 59.59 38.82 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.55 41.81 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -156.13 161.14 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -107.78 116.46 31.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -106.82 153.85 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.37 116.41 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -75.38 -40.91 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.31 131.84 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.45 144.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.089 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.22 -154.72 11.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -126.41 143.82 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.806 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.2 tm? -101.2 139.86 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.658 ' H ' HD22 ' A' ' 38' ' ' LEU . 20.0 m-70 -137.46 118.02 13.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD22 ' CG2' ' A' ' 48' ' ' THR . 26.0 mt -93.03 106.61 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 29.5 mtmt -107.22 121.79 43.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.42 24.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -128.15 170.13 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.93 62.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -86.37 18.01 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 62.87 35.41 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -121.07 176.68 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' HD22 ' A' ' 40' ' ' LEU . 90.9 m -130.28 132.1 45.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.06 128.1 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -83.97 125.53 32.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.636 ' N ' HD13 ' A' ' 50' ' ' LEU . 5.2 tp -141.68 133.46 27.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.55 119.32 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -85.68 149.54 25.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.48 158.93 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.3 145.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.09 -47.06 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tp -153.18 112.66 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' CB ' HD12 ' A' ' 51' ' ' LEU . 44.5 t-20 -125.65 102.25 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG11 ' O ' ' A' ' 86' ' ' VAL . 32.9 m -143.47 150.09 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -91.86 128.23 37.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.434 HD12 ' HB ' ' A' ' 48' ' ' THR . 97.5 mt -57.48 113.61 6.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.11 37.28 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.43 104.94 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ttp -144.06 125.32 7.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 154.54 67.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 25.8 p -134.5 135.5 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.56 103.24 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -78.11 107.52 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.62 HG23 ' HB2' ' A' ' 80' ' ' ASN . 14.3 t -108.08 162.14 14.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.97 -159.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -96.45 -44.66 7.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 11.7 p-10 -118.0 16.39 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.62 ' HB2' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.56 135.19 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.77 106.33 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.9 tp -86.46 128.08 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.9 pt -143.91 144.84 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 t -105.0 120.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.5 162.7 41.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.556 ' O ' HG11 ' A' ' 65' ' ' VAL . 47.0 t -80.03 122.56 83.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.73 118.6 5.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -122.63 115.23 29.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.37 74.35 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.313 -0.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.89 41.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.2 mt -77.55 -43.81 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.31 147.19 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.28 -40.58 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ASN . 3.0 pttm -47.2 -30.53 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 25.7 m-80 -157.71 103.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.2 -58.72 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 m -43.08 -42.39 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpp -58.85 124.74 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 164.16 35.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' A' ' 87' ' ' PRO . 10.8 m -133.33 157.92 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.5 m -72.87 118.5 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 mmt -120.29 136.76 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 80' ' ' ASN . 2.5 tt -117.84 138.93 51.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.3 mp -128.22 131.23 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 6.1 ptm180 -117.59 145.87 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' N ' ' A' ' 112' ' ' ALA . 12.3 m -122.49 162.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -61.18 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 106' ' ' VAL . 4.6 t -101.83 159.63 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.5 t -66.92 -47.31 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.34 -30.2 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.02 -40.57 75.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.636 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -61.61 -56.56 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.14 -44.86 88.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 118' ' ' ILE . 35.2 tp10 -64.78 -63.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 7.0 tp -39.17 -41.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 5.6 t-160 -75.29 -39.09 60.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' GLU . 38.3 mtpt -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.7 mp -50.69 -63.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.884 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -55.82 -32.97 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 119' ' ' LEU . 20.8 mt -70.33 -27.22 64.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -86.84 -37.02 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.409 ' CG ' ' OG1' ' A' ' 48' ' ' THR . 28.8 mmtm -73.34 -44.08 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 14.2 pttp -50.11 -39.53 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 3.9 t70 -80.32 -45.36 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 6.3 p90 -98.02 -45.87 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 115' ' ' LEU . 8.7 t80 -95.33 125.32 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 10.8 t -140.8 118.66 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -147.37 143.83 28.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.9 126.14 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.83 173.89 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -104.63 165.78 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.99 137.19 47.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -139.67 128.2 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -110.47 145.03 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 41.3 tttm -86.17 113.63 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -138.29 127.02 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.62 40.24 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 58.65 44.12 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -160.31 152.44 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -96.24 126.49 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 135.13 53.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.45 120.64 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -77.05 -40.61 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.93 135.65 2.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.96 123.48 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.45 -156.24 7.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 m -133.0 132.4 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 50' ' ' LEU . 7.0 tt -86.61 146.31 26.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 80.3 m-70 -142.37 118.54 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 50' ' ' LEU . 18.1 mt -104.28 129.66 52.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 140.04 34.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 54.1 Cg_endo -69.74 134.05 27.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.7 p -89.06 159.51 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.59 -178.02 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 16.0 tm0? -74.51 10.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.92 174.37 10.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 122' ' ' LYS . 18.8 m -131.26 130.02 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 33.3 tt0 -101.52 152.87 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 38' ' ' LEU . 1.4 tm? -122.05 125.02 45.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.3 tp -136.87 132.21 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.17 123.65 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -92.68 145.08 24.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.31 136.91 32.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.84 146.44 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -98.01 -46.99 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.5 tp -154.86 116.56 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -126.49 101.98 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.933 HG11 ' O ' ' A' ' 86' ' ' VAL . 31.1 m -140.36 162.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 tp -101.57 142.41 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.43 109.99 1.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.95 17.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.34 35.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.26 119.52 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.413 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 1.2 tmt? -141.19 102.04 6.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 54.0 Cg_endo -69.75 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 27.8 p -102.83 135.06 45.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -143.19 102.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CD ' HG23 ' A' ' 81' ' ' VAL . 3.7 mmm180 -86.5 122.05 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 76' ' ' THR . 5.3 t -128.44 121.08 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.95 -150.06 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -117.94 -37.98 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -117.43 18.05 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -130.19 136.99 49.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 116' ' ' HIS . 7.8 p -140.23 123.72 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -88.62 139.87 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.7 pt -148.33 134.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.03 119.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.11 163.35 39.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.933 ' O ' HG11 ' A' ' 65' ' ' VAL . 98.1 t -84.0 118.53 71.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.0 Cg_endo -69.74 122.73 9.41 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.605 ' HB2' HG12 ' A' ' 65' ' ' VAL . 3.2 t-20 -125.84 115.41 24.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.75 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.1 Cg_endo -69.78 160.41 88.14 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.33 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 120.98 7.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.13 -45.55 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -118.91 151.46 38.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.71 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.0 pt-20 -86.81 -43.29 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -49.05 -43.39 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.81 13.84 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.71 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -40.76 -61.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 p -54.71 -43.4 72.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.1 ttt -72.89 139.47 80.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.61 33.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.421 HG22 ' HD3' ' A' ' 87' ' ' PRO . 11.2 m -129.84 160.78 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 62.6 m -69.91 135.01 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.48 147.14 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 80' ' ' ASN . 7.6 tt -129.62 141.74 50.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' ILE . 15.3 mt -118.6 106.97 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 32.0 mtm180 -100.08 109.57 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 107' ' ' LYS . 9.2 p -95.23 168.87 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.585 ' H ' HG22 ' A' ' 106' ' ' VAL . 24.5 mttp -57.83 -60.02 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -115.07 143.93 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 5.6 t -49.14 -56.16 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -38.79 -39.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.504 ' HB3' HG21 ' A' ' 106' ' ' VAL . 15.4 m-20 -67.12 -39.73 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.525 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -55.08 -61.55 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -43.79 -41.98 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.02 -44.39 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' A' ' 115' ' ' LEU . 0.3 OUTLIER -60.83 -59.85 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.724 ' HE1' HD11 ' A' ' 120' ' ' LEU . 6.7 t-80 -54.87 -40.86 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -55.93 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' LEU . 97.6 mt -48.91 -56.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ILE . 14.0 mt -35.85 -55.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 123' ' ' LYS . 79.1 mt -49.01 -45.56 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 2.7 mm-40 -70.34 -37.88 74.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.673 ' HB3' HG21 ' A' ' 48' ' ' THR . 28.9 mmtm -76.51 6.69 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.824 ' CE ' HD23 ' A' ' 120' ' ' LEU . 5.6 pttt -135.48 115.26 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 t70 65.1 34.06 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.869 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 40' ' ' LEU . 42.4 t80 -87.48 121.43 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.4 p -140.83 106.9 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -144.68 137.96 26.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -76.75 140.94 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.9 p -163.78 177.89 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -117.45 126.32 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.89 143.51 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -145.15 132.97 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 36.1 p90 -120.24 146.71 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -93.73 115.48 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 ptmt -140.98 140.76 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.01 36.08 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.91 47.99 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -162.17 156.17 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -97.76 113.42 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.8 mmmp? -109.3 152.58 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -86.38 122.64 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -78.95 -45.44 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.63 118.78 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.14 126.76 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.42 -134.72 1.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.4 m -131.79 131.45 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 39' ' ' HIS . 1.9 tm? -82.48 138.06 34.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.931 ' N ' HD13 ' A' ' 38' ' ' LEU . 42.9 m-70 -134.63 161.94 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.869 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 76.9 mt -146.9 107.57 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -127.53 143.21 46.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.65 38.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -98.68 169.88 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.97 -46.91 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.27 177.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.96 15.9 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -111.62 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 66' ' ' LEU . 93.0 m -107.49 140.27 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 50' ' ' LEU . 28.6 tt0 -105.14 149.83 25.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -116.07 123.85 48.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.489 HD13 ' ND2' ' A' ' 64' ' ' ASN . 10.7 tp -138.15 119.71 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 38' ' ' LEU . 6.3 t -100.22 124.86 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -93.4 143.23 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 177.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.11 113.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 62' ' ' LEU . 18.1 mt -89.63 -54.16 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -145.07 114.08 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.489 ' ND2' HD13 ' A' ' 51' ' ' LEU . 43.0 t-20 -118.22 110.32 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.52 158.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 48' ' ' THR . 52.6 tp -103.7 140.72 37.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 122' ' ' LYS . 90.8 mt -68.57 111.63 8.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -28.04 25.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -133.62 116.06 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 ttp -139.87 128.97 13.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 145.89 58.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.453 ' HB2' ' HE2' ' A' ' 116' ' ' HIS . 25.0 p -127.94 124.26 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.65 110.13 11.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HD3' HG22 ' A' ' 81' ' ' VAL . 3.1 mmm180 -89.33 118.65 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 80' ' ' ASN . 11.8 t -120.14 159.9 23.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.59 -150.18 35.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -97.91 -55.06 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -116.56 17.77 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HB2' HG23 ' A' ' 76' ' ' THR . 43.4 m-20 -96.17 133.04 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 75' ' ' ARG . 91.6 t -123.98 123.32 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 ' CG2' ' A' ' 101' ' ' THR . 1.4 tt -105.52 136.59 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.539 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.6 pt -140.36 164.64 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 99' ' ' PRO . 11.1 t -129.14 120.12 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.9 p -155.56 158.12 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.12 110.98 18.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.645 0.736 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.521 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.6 Cg_endo -69.72 139.45 40.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -129.17 113.44 18.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.48 58.35 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.343 -0.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.52 -38.1 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.47 156.85 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -99.27 -37.2 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.63 -46.66 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.8 17.9 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.85 -62.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -45.57 -46.43 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.96 162.27 65.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.77 174.99 8.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.521 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.4 p -122.41 149.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.633 ' CG2' HD21 ' A' ' 82' ' ' LEU . 19.3 m -85.71 109.67 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.419 ' HG3' HG13 ' A' ' 100' ' ' VAL . 9.4 mtp -114.52 155.83 25.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 tt -142.32 129.78 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.8 mt -101.0 137.61 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.8 120.3 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.489 HG11 ' OD2' ' A' ' 111' ' ' ASP . 27.5 m -109.55 174.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -82.44 -53.99 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.42 HG23 ' HG2' ' A' ' 110' ' ' GLU . 7.0 t -105.69 146.9 29.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' GLU . 11.3 m -58.8 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' SER . 5.3 pt-20 -35.4 -39.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.489 ' OD2' HG11 ' A' ' 106' ' ' VAL . 27.7 t0 -57.15 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 81' ' ' VAL . . . -52.22 -61.3 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 117' ' ' LYS . 25.8 t70 -38.21 -58.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 8.4 tp10 -59.81 -53.31 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.8 tp -46.75 -45.0 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.795 ' CE1' HD11 ' A' ' 120' ' ' LEU . 42.4 t-80 -66.17 -47.36 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 19.6 mttp -59.8 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 89.7 mt -38.84 -64.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.1 mt -39.64 -57.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.795 HD11 ' CE1' ' A' ' 116' ' ' HIS . 39.9 mt -52.12 -36.03 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' ILE . 45.0 mt-10 -72.32 -55.34 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 67' ' ' ILE . 3.0 mtmp? -48.54 -36.98 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 4.6 pttp -81.74 -32.07 31.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.6 t70 -52.65 -49.57 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CZ ' ' NZ ' ' A' ' 122' ' ' LYS . 29.5 p90 -61.85 -39.22 91.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -93.48 133.92 36.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.9 p -140.13 106.27 5.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HD3' HG23 ' A' ' 106' ' ' VAL . 4.5 tmmm? -133.23 127.94 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 2.9 mppt? -87.19 126.95 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 p -161.78 177.54 9.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -111.51 165.82 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 11.4 mt -120.37 140.29 51.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 32' ' ' GLU . 94.2 m-85 -137.57 134.35 35.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -117.77 149.34 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 29.3 tptt -91.92 113.64 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 26.8 tttp -142.23 146.05 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 50.05 40.0 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 56.87 47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.51 152.05 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 22.2 m-85 -92.84 118.36 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -116.43 150.71 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 26.5 tp10 -80.93 130.25 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -83.17 -43.76 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.83 130.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.31 139.25 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.64 -148.39 6.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -133.38 145.54 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.338 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -93.73 136.59 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.659 ' N ' HD22 ' A' ' 38' ' ' LEU . 66.6 m-70 -133.73 149.2 51.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 70.2 mt -129.73 115.46 17.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.18 121.59 38.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.17 68.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.2 p -112.75 178.53 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.82 -26.47 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -81.4 17.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 56.89 35.18 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -110.93 178.34 4.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 67' ' ' ILE . 46.6 m -130.38 122.92 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -99.04 131.14 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.1 tm? -86.73 115.73 24.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.5 tp -132.44 136.56 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 38' ' ' LEU . 96.7 t -126.08 117.01 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -85.58 155.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' A' ' 60' ' ' ASN . . . -97.32 155.41 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.626 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.8 t30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.9 mt -86.31 129.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 70.4 mt -105.58 -37.95 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.6 tp -154.35 116.48 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -128.4 104.96 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 86' ' ' VAL . 29.1 m -154.92 148.17 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.86 147.12 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.701 HD12 ' HB ' ' A' ' 48' ' ' THR . 69.2 mt -65.88 112.43 8.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.138 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.88 17.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.295 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.92 5.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -122.51 123.48 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttp -154.84 122.36 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.1 p -112.67 132.76 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -139.3 103.44 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.2 mmm180 -80.87 112.05 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.695 HG23 ' HB2' ' A' ' 80' ' ' ASN . 10.9 t -108.15 152.39 24.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.52 -151.81 17.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -110.12 -35.44 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -117.94 18.07 14.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.695 ' HB2' HG23 ' A' ' 76' ' ' THR . 4.2 m-80 -113.09 144.06 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.649 HG21 HD23 ' A' ' 115' ' ' LEU . 59.0 t -137.46 111.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.739 HD13 HD23 ' A' ' 103' ' ' LEU . 10.4 tp -94.13 128.34 40.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.8 pt -144.66 138.21 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 113.42 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.74 153.19 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.464 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.1 t -75.69 118.37 70.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 126.31 13.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 2.8 m-80 -125.93 116.37 24.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.79 164.18 80.0 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.351 -0.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.28 20.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.31 -43.57 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.91 147.33 27.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.76 -42.53 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -39.56 -42.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -153.51 102.06 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 -42.47 8.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -45.06 -34.52 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.0 ttt -83.19 130.26 57.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.87 44.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.3 m -122.66 158.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 82' ' ' LEU . 89.5 m -71.78 135.58 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.513 ' O ' HD12 ' A' ' 82' ' ' LEU . 5.1 mmt -132.89 137.06 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.739 HD23 HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -114.61 127.46 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 103' ' ' LEU . 21.5 mt -111.59 114.43 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HG3' HD12 ' A' ' 103' ' ' LEU . 61.1 mtt180 -108.08 113.93 27.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.673 HG23 ' HD3' ' A' ' 18' ' ' LYS . 9.9 p -92.95 162.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 106' ' ' VAL . 9.2 ttmm -60.45 -48.88 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 127.95 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -46.22 -52.44 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.2 pt-20 -39.71 -38.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 106' ' ' VAL . 7.4 t0 -63.68 -50.96 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.69 -53.61 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -42.13 -58.54 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -53.75 -50.82 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 HG21 ' A' ' 81' ' ' VAL . 7.6 tp -51.02 -46.24 61.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 18.1 t-80 -66.42 -49.86 65.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -54.93 -57.54 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 119' ' ' LEU . 83.5 mt -53.47 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 118' ' ' ILE . 16.0 mt -32.92 -41.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.14 -60.24 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -39.4 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.688 ' HD3' HG21 ' A' ' 48' ' ' THR . 9.4 mmpt? -53.42 -43.69 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.481 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 45.4 mttp -44.27 -51.77 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -78.71 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.798 0.332 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 35.5 p90 -71.63 -46.99 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' HE2' HD13 ' A' ' 115' ' ' LEU . 49.7 t80 -97.03 105.78 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -121.15 118.29 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 127.57 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.91 135.92 53.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -162.82 169.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 104' ' ' ILE . 4.6 mtmp? -109.09 160.47 16.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.47 134.38 55.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.89 148.96 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 5.6 p90 -130.66 153.95 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -92.21 114.78 27.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mtmt -142.27 126.75 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 60.14 38.34 20.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 61.47 42.76 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -157.98 149.3 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -102.02 116.02 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 22.9 mmtm -105.51 157.59 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -89.58 113.67 25.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -66.11 -42.65 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.71 140.22 2.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 21' ' ' LYS . 43.0 mt -77.85 128.49 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.61 -153.79 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -130.95 141.96 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.776 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -93.97 134.43 36.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.1 m-70 -134.84 113.33 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 mt -95.8 114.45 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HE2' HD23 ' A' ' 51' ' ' LEU . 2.7 mtmp? -115.02 134.45 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.22 17.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.453 HG22 ' HB2' ' A' ' 49' ' ' GLN . 17.6 p -87.27 157.1 19.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.01 -34.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 24.5 m120 -92.91 -178.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.05 12.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HB3' HD11 ' A' ' 66' ' ' LEU . 7.9 mmpt? -88.45 178.5 6.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.6 m -129.73 128.92 43.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' THR . 50.4 tt0 -90.54 140.91 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.76 110.68 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD23 ' HE2' ' A' ' 41' ' ' LYS . 25.1 tp -129.66 136.18 49.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 HD23 ' A' ' 38' ' ' LEU . 95.7 t -131.71 115.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -86.36 143.99 27.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -88.56 151.64 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.748 0.309 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -90.6 124.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.75 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 50.2 mt -87.58 -51.76 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.53 125.13 9.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -130.08 107.11 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 86' ' ' VAL . 35.1 m -150.59 165.34 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 48' ' ' THR . 33.2 tp -96.27 139.73 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.623 HD12 ' HB ' ' A' ' 48' ' ' THR . 47.5 mt -73.43 118.17 66.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 170.15 17.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.329 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 123' ' ' LYS . 54.1 Cg_endo -69.78 -37.36 9.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -129.38 114.56 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 ttp -133.24 133.58 23.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.557 0.694 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.94 16.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 137.78 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.41 138.83 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 tpt85 -101.01 136.81 40.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -150.32 167.47 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.71 178.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -54.95 -48.25 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.479 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -147.63 102.03 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -150.75 165.47 33.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 115' ' ' LEU . 92.0 t -148.44 101.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 101' ' ' THR . 0.9 OUTLIER -91.25 129.85 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 82' ' ' LEU . 25.5 pt -151.28 145.12 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.69 122.16 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -155.48 161.7 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' HG11 ' A' ' 65' ' ' VAL . 91.2 t -76.65 115.21 45.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.1 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 47.1 m-20 -124.62 118.32 26.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 54.6 Cg_endo -69.71 166.01 75.02 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.384 -0.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.19 4.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.0 mt -57.37 -44.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.95 162.63 12.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.19 -37.41 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -40.8 -44.9 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.81 102.89 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.6 -43.09 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 t -52.06 -28.75 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.5 mtp -86.53 132.11 43.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 165.72 30.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.433 HG22 ' HD3' ' A' ' 87' ' ' PRO . 14.4 m -127.25 158.59 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HD21 ' A' ' 82' ' ' LEU . 88.2 m -71.9 115.5 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.6 mtp -114.41 150.18 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 104' ' ' ILE . 5.7 tt -144.71 142.67 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.522 ' N ' HD23 ' A' ' 103' ' ' LEU . 23.7 mt -120.01 143.57 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -118.76 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 31.6 m -100.76 179.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -82.62 -57.19 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -107.65 146.75 31.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.9 p -51.19 -54.73 22.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -43.06 -32.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.8 t0 -62.07 -52.11 65.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . . . -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.06 -46.36 78.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.33 -64.0 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 81' ' ' VAL . 6.1 tp -53.85 -41.12 67.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.4 ' CE1' HD11 ' A' ' 120' ' ' LEU . 6.0 t-80 -54.94 -44.01 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -73.81 -54.46 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.2 mt -46.95 -46.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.45 -42.95 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 116' ' ' HIS . 54.9 mt -65.98 -31.24 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -80.03 -34.72 38.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.52 -48.85 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 27.4 pttt -47.51 -36.24 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -84.59 -44.28 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p90 -79.74 -40.64 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 64.3 t80 -98.45 128.37 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.9 p -138.96 118.66 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 136.84 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -79.12 142.48 36.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -165.88 168.44 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HD3' ' CD ' ' A' ' 32' ' ' GLU . 1.8 ttmp? -102.92 138.33 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.47 146.43 27.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 82.1 m-85 -146.65 129.18 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -110.29 149.64 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -90.03 112.52 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -136.92 131.7 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 57.97 39.04 26.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 t30 61.18 42.81 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -156.58 154.53 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.4 m-85 -96.97 111.05 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -104.92 151.96 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 11.7 tt0 -81.0 125.63 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -81.8 -43.09 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.9 136.98 2.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.39 140.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.18 -154.46 12.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.9 m -131.59 139.06 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.849 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -92.8 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.805 ' N ' HD13 ' A' ' 38' ' ' LEU . 92.9 m-70 -133.87 127.47 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 49' ' ' GLN . 12.1 mt -107.4 108.2 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.7 132.36 21.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 132.41 23.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 49' ' ' GLN . 5.4 p -86.66 162.67 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -97.69 179.2 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.59 -3.21 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.7 mttm -68.77 173.88 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 66' ' ' LEU . 63.3 m -131.01 128.61 40.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.573 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.1 tt0 -91.27 147.54 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.599 ' CD2' HD21 ' A' ' 38' ' ' LEU . 1.4 tm? -122.9 117.09 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 22.3 tp -135.26 152.84 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 92.2 t -137.71 126.96 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -93.21 126.94 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.97 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -81.55 159.46 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -78.94 120.2 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.97 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 21.0 mt -83.16 -55.92 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' CD1' ' H ' ' A' ' 88' ' ' ASN . 42.4 tp -149.1 133.46 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -143.61 104.58 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.683 HG11 ' O ' ' A' ' 86' ' ' VAL . 17.8 m -144.73 175.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' THR . 47.0 tp -110.17 133.89 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' A' ' 48' ' ' THR . 96.9 mt -63.87 117.38 35.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.18 24.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -126.84 106.32 9.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -132.23 127.46 20.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.482 ' CG ' ' HB ' ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.77 127.17 14.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.415 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.9 p -113.09 122.78 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.91 147.3 32.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -117.9 148.16 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 t -150.54 166.71 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.07 -176.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -59.06 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -139.43 101.99 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -150.22 169.89 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.0 t -149.09 107.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.765 HD11 HG23 ' A' ' 101' ' ' THR . 4.6 tp -96.68 128.35 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 pt -150.68 134.77 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.482 ' HB ' ' CG ' ' A' ' 72' ' ' PRO . 97.8 t -96.89 118.34 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.94 162.68 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.683 ' O ' HG11 ' A' ' 65' ' ' VAL . 76.3 t -77.68 118.35 71.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 13.9 t-20 -128.79 117.76 19.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.76 167.41 71.12 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.63 68.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.97 -41.51 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.83 168.19 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -97.19 -33.27 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -82.26 -54.02 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.46 12.93 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.75 -63.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.7 p -52.0 -45.44 64.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.412 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 24.4 ttm -69.27 138.47 89.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.523 0.678 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 53.9 Cg_endo -69.71 162.93 40.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.61 160.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.765 HG23 HD11 ' A' ' 82' ' ' LEU . 99.6 m -75.81 131.86 40.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 mtp -126.18 124.06 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -113.34 118.45 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.57 129.02 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -106.35 122.94 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 79' ' ' ASN . 29.5 m -110.4 178.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -78.36 -68.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.85 155.2 18.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ASP . 32.6 t -63.32 -49.37 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 34.3 t0 -75.87 -49.98 16.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.46 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 75' ' ' ARG . 30.3 t70 -64.42 -54.5 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -66.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.4 tp -47.28 -62.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 3.7 t-80 -47.01 -46.7 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -60.77 -40.23 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -50.59 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.5 -36.63 84.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 120' ' ' LEU . 1.9 tp -70.48 -49.68 45.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.96 -50.87 53.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 2.6 pttp -67.51 -29.78 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 26.4 t0 -63.38 -56.29 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.7 p90 -85.42 -44.39 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 90.4 t80 -98.72 123.03 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -138.98 110.62 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -140.99 137.34 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -76.64 138.35 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.3 p -168.07 177.89 5.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 1.1 ttmp? -124.69 134.24 52.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.771 HD23 HD11 ' A' ' 104' ' ' ILE . 10.3 mt -83.46 160.34 21.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 78.4 m-85 -154.04 130.1 10.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 22.2 p90 -124.0 147.92 47.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -85.5 115.87 23.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -139.01 120.26 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 63.9 39.4 8.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.5 m120 61.93 37.27 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -150.1 152.71 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -93.26 112.86 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 9.4 mmmt -113.92 111.46 21.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 4.1 pt-20 -61.14 116.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -53.1 -33.66 53.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.85 166.96 14.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 55' ' ' ASP . 50.8 mt -86.16 138.02 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.83 -165.74 33.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -126.45 141.07 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.5 tm? -90.36 137.83 32.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.798 ' N ' HD13 ' A' ' 38' ' ' LEU . 31.6 m-70 -140.03 129.23 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 50' ' ' LEU . 57.3 mt -113.09 133.03 55.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -143.51 143.12 22.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 0.0 110.937 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.07 68.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 p -108.7 172.0 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.61 71.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -80.58 14.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 62.21 34.78 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.5 mmtt -112.37 175.39 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' HD12 ' A' ' 66' ' ' LEU . 25.7 m -113.25 107.84 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.68 145.76 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 40' ' ' LEU . 8.0 tt -103.32 143.14 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 6.1 tp -146.72 134.72 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HD23 ' A' ' 38' ' ' LEU . 79.2 t -128.6 116.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -95.43 146.39 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.39 150.93 44.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.541 ' HB2' HG22 ' A' ' 35' ' ' ILE . 26.1 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.17 121.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.77 -43.52 13.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 88' ' ' ASN . 23.4 tp -154.07 117.91 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -128.84 112.09 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.0 m -152.56 166.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 48' ' ' THR . 30.0 tp -100.72 151.92 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 81.7 mt -81.62 112.67 36.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.76 169.47 18.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.337 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -32.51 18.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -123.62 106.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.4 ttp -133.54 118.54 14.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 135.1 29.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 29.7 p -115.67 137.23 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.3 p -140.41 102.61 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -76.34 114.66 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 154.78 32.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.48 -160.62 17.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.43 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -96.31 -46.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 51.8 p-10 -117.8 17.96 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.828 ' HB3' HD21 ' A' ' 103' ' ' LEU . 67.2 m-80 -101.99 148.2 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -136.09 108.95 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 101' ' ' THR . 9.0 mt -91.48 129.34 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 pt -141.6 153.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.61 115.56 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.36 153.37 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.485 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.8 t -71.76 120.33 79.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.54 17.77 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.49 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.5 m-80 -131.57 116.01 16.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.78 75.83 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.345 -0.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 149.38 66.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.4 mt -97.57 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.09 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.53 -37.98 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -66.13 -27.47 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 25.2 m-80 -154.5 102.08 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.76 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.5 m -49.74 -40.34 40.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.1 mmm -76.76 136.58 66.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.82 55.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.99 160.41 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.452 ' CG2' HD22 ' A' ' 82' ' ' LEU . 56.8 m -69.14 133.11 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.2 mtp -132.34 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 80' ' ' ASN . 3.6 tt -132.0 150.05 52.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.771 HD11 HD23 ' A' ' 22' ' ' LEU . 18.9 mm -131.87 126.31 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -115.75 101.99 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.606 HG11 ' N ' ' A' ' 112' ' ' ALA . 10.4 p -82.92 164.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.536 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.2 tmtt? -44.49 -68.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.529 HG23 ' CG ' ' A' ' 110' ' ' GLU . 8.8 t -114.24 134.25 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 87.7 p -41.0 -54.45 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.6 pt-20 -38.03 -38.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.506 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 14.0 m-20 -69.22 -43.71 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.606 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -47.76 -52.22 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -46.9 -49.23 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.12 -44.67 96.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.17 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.615 ' CE1' HD21 ' A' ' 120' ' ' LEU . 9.1 t-80 -55.28 -50.71 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -40.73 -58.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.54 -66.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.68 ' H ' HD12 ' A' ' 119' ' ' LEU . 7.1 mp -40.95 -56.27 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 116' ' ' HIS . 4.1 mm? -47.62 -37.91 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -76.74 -52.65 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -50.76 -48.32 59.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 9.6 pttp -61.1 -44.07 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 83.6 m-20 -48.68 -48.16 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 32.3 p90 -81.42 -42.01 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -108.57 108.23 19.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -130.54 110.43 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -145.08 140.29 27.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HA ' HG23 ' A' ' 37' ' ' THR . 15.7 ptpt -70.78 139.61 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -166.25 166.34 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 35' ' ' ILE . 41.7 mttt -98.23 168.82 10.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 52' ' ' VAL . 11.6 mt -137.01 131.31 32.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 50.2 m-85 -132.53 144.8 50.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 46.4 p90 -126.74 147.82 49.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -86.56 115.12 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -137.79 125.31 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 54.91 39.54 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 62.82 45.46 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -155.38 155.08 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -105.21 111.54 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 11.6 mmmm -108.04 124.82 50.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 36.6 tt0 -60.85 106.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.32 -47.63 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.37 135.54 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' LYS . 13.7 mm -64.99 143.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.78 -160.54 29.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 19' ' ' LYS . 7.8 m -129.11 144.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -100.75 137.91 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.632 ' N ' HD13 ' A' ' 38' ' ' LEU . 17.0 m-70 -134.38 121.22 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HG ' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -96.94 117.74 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -144.42 142.29 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.45 63.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 45' ' ' ASN . 12.9 t -112.01 159.87 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 43' ' ' THR . 12.8 m120 -82.24 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 49.56 32.02 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -125.97 163.93 21.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -80.96 113.09 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' A' ' 66' ' ' LEU . 27.6 tt0 -101.22 121.27 41.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.3 tp -85.76 134.86 33.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -142.58 120.51 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 22' ' ' LEU . 87.3 t -114.98 115.53 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -99.31 131.77 45.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 142.82 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 19.5 p30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 116.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 62' ' ' LEU . 12.6 mt -91.98 -50.56 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -153.59 112.59 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -121.74 111.96 17.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.2 m -151.63 171.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 49' ' ' GLN . 15.5 mt -112.63 145.62 40.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -81.3 111.43 24.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.252 . . . . 0.0 112.33 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.46 32.01 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -126.53 102.99 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttp -145.87 121.01 5.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.12 34.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 55.8 m -117.25 134.15 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.8 104.6 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.422 ' CD ' HG22 ' A' ' 81' ' ' VAL . 2.4 mmm180 -85.58 114.96 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.714 HG23 ' HB2' ' A' ' 80' ' ' ASN . 2.3 t -107.18 155.17 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.05 -146.73 9.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -114.69 -31.84 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -117.98 14.82 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' A' ' 76' ' ' THR . 51.5 m-20 -112.42 148.13 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.8 t -138.78 118.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 83' ' ' ILE . 10.4 tp -103.51 139.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' LEU . 20.2 pt -155.63 151.0 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.62 120.48 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 p -155.55 156.75 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.39 116.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.81 130.83 19.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.407 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 5.8 m-20 -123.11 116.04 28.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.81 78.35 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.346 -0.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.88 46.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.47 HG22 ' OD1' ' A' ' 92' ' ' ASP . 36.0 mm -53.84 -45.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' OD1' HG22 ' A' ' 91' ' ' ILE . 8.8 m-20 -142.83 166.48 24.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 55.2 mm-40 -76.04 -40.58 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -60.73 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.78 13.1 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -51.35 -53.18 38.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 78.6 p -63.18 -42.28 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 28.5 mtp -76.59 134.38 69.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.437 HG22 ' HD3' ' A' ' 87' ' ' PRO . 9.3 m -130.45 157.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.3 m -71.82 114.88 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.3 mmt -115.44 130.87 57.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 104' ' ' ILE . 2.9 tt -115.78 146.74 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.673 ' N ' HD23 ' A' ' 103' ' ' LEU . 4.7 mp -120.99 122.92 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -110.37 109.14 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.27 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.11 -50.03 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.0 p -113.5 132.15 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -48.16 -52.44 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.94 -38.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -60.71 -57.88 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.28 -42.26 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.13 -48.5 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LYS . 6.2 tp10 -62.85 -61.18 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 27.5 tp -37.65 -48.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.89 ' O ' HD23 ' A' ' 120' ' ' LEU . 11.0 t-80 -57.53 -43.54 84.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' GLU . 32.9 mmtt -52.17 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.6 mp -54.81 -60.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -39.29 -42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 40.6 mt-10 -77.94 -30.5 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -78.83 11.79 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 123' ' ' LYS . 2.8 pttp -137.65 113.37 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t0 62.06 34.44 16.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 m -87.54 125.47 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 169.15 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -95.61 140.48 30.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -155.98 138.75 15.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -53.65 -56.14 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.12 129.8 38.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 21.2 p90 -78.62 -42.22 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -110.08 106.81 16.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -129.51 117.82 21.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' C ' HG23 ' A' ' 37' ' ' THR . 31.7 tptt -150.78 145.19 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -74.84 141.64 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 p -164.23 171.52 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 27.1 mttp -117.91 134.93 54.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.32 147.67 22.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 67.2 m-85 -153.12 123.27 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 8.2 p90 -104.14 154.47 19.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -92.56 118.2 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 91' ' ' ILE . 8.6 mtpm? -140.55 115.83 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.2 t70 66.59 43.95 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 58.55 41.19 22.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -154.34 160.78 41.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -110.26 127.0 54.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mmtt -118.36 131.68 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 14.6 tt0 -65.19 110.95 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -67.94 -43.92 77.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.87 127.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 mt -64.5 132.75 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . -170.76 -171.12 35.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.615 HG23 ' C ' ' A' ' 18' ' ' LYS . 31.2 m -121.45 135.89 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 38' ' ' LEU . 1.2 tt -82.67 138.71 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -130.47 107.73 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.8 mt -96.51 119.13 34.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.99 150.86 50.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.593 0.711 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 147.82 64.18 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 47' ' ' LYS . 14.7 t -112.58 171.33 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.82 -44.34 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -81.73 178.04 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.57 7.22 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 43' ' ' THR . 28.4 mmtp -94.81 168.45 10.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.696 ' HB ' HD12 ' A' ' 67' ' ' ILE . 32.9 m -104.18 133.67 48.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HA ' HD23 ' A' ' 66' ' ' LEU . 7.5 tt0 -95.64 129.49 42.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.5 tm? -99.37 124.69 44.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.3 tp -136.32 146.95 47.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.8 t -137.43 116.89 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -92.67 142.39 27.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.98 134.07 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 13.3 t0 -63.6 -46.49 85.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -53.9 159.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -42.94 -49.34 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -56.87 113.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.88 76.0 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -107.64 143.7 35.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -71.29 120.05 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.6 mt -83.33 -50.15 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 88' ' ' ASN . 14.3 tp -149.75 118.37 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -127.64 103.77 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.672 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.7 m -140.55 175.35 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 49' ' ' GLN . 12.5 mt -113.73 122.24 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' A' ' 48' ' ' THR . 83.5 mt -54.08 108.72 1.21 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 168.49 21.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.31 11.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -113.8 106.96 15.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -144.44 118.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.51 0.671 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.14 67.97 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.403 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 28.0 p -120.33 140.64 50.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.6 p -142.59 106.02 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 2.2 mmm180 -93.51 112.69 24.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 80' ' ' ASN . 3.8 t -108.13 157.15 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.04 -145.71 20.55 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 2.5 ptpp? -115.85 -35.43 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 17.5 p-10 -117.96 16.53 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 76' ' ' THR . 29.3 m120 -110.2 151.21 27.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG22 ' CD ' ' A' ' 75' ' ' ARG . 45.6 t -145.55 135.49 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 102' ' ' MET . 3.6 mt -121.51 146.3 47.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 pt -153.18 145.07 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.72 117.19 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.4 p -154.73 160.99 41.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.672 ' O ' HG11 ' A' ' 65' ' ' VAL . 87.4 t -80.22 116.28 60.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.85 12.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.544 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 m-20 -127.68 117.2 21.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.4 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.76 155.62 93.16 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 135.87 31.62 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.554 HG21 ' HD2' ' A' ' 26' ' ' LYS . 15.7 mt -76.08 -43.59 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -94.51 146.0 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -88.63 -37.01 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -79.46 -44.75 20.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.15 7.8 33.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.7 -64.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.5 p -50.41 -47.17 56.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 136.36 83.49 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.77 26.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.57 157.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.609 ' CG2' HD22 ' A' ' 82' ' ' LEU . 55.6 m -73.31 127.15 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.634 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.0 mmt -125.17 138.0 54.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 tt -121.35 135.74 55.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.26 116.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -101.28 113.42 26.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.22 177.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -83.37 -47.09 11.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.0 124.33 51.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -45.88 -21.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.72 -44.44 73.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -59.05 -40.04 83.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.82 -62.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -45.89 -55.84 6.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HG3' HD11 ' A' ' 118' ' ' ILE . 3.5 tp10 -52.82 -48.58 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.24 -45.48 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.478 ' HA ' HD12 ' A' ' 119' ' ' LEU . 31.3 t-80 -66.77 -46.0 76.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -56.43 -58.51 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 114' ' ' GLU . 31.8 mt -45.19 -55.12 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 116' ' ' HIS . 36.9 mt -43.93 -55.82 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 116' ' ' HIS . 19.3 mt -47.28 -46.14 24.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.86 -44.51 80.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -57.22 -46.12 83.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -71.51 -23.82 61.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.06 -52.51 65.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.924 0.392 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 9' ' ' VAL . 9.3 p -106.66 17.15 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.44 128.64 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -80.3 2.58 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -143.47 152.95 42.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.85 -44.1 17.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.1 118.73 21.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 40.4 p90 -58.4 -46.65 86.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -102.11 126.13 48.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.7 p -140.72 110.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -142.59 128.21 19.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 140.56 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -165.89 172.7 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -105.9 157.94 17.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -120.86 137.24 54.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 70.8 m-85 -140.99 150.33 42.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 4.9 p90 -135.0 158.71 43.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -88.27 111.54 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -141.47 123.07 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 60.86 39.0 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 58.51 45.47 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -159.14 153.89 24.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -98.65 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 28.7 mmtp -101.0 142.33 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 12.7 tt0 -78.38 114.99 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -66.57 -42.94 86.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.37 125.86 0.82 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 36' ' ' GLY . 11.6 mt -65.3 153.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.103 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' HA2' ' N ' ' A' ' 55' ' ' ASP . . . 173.3 -157.27 25.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.8 m -126.05 134.94 51.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.0 tm? -87.83 137.99 31.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.828 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.4 m-70 -137.12 113.05 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HD12 ' A' ' 50' ' ' LEU . 10.8 mt -92.41 120.01 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -128.62 137.96 32.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 146.97 62.15 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.232 . . . . 0.0 112.407 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 47' ' ' LYS . 10.7 t -110.5 162.31 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.09 -46.32 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -74.67 177.65 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -79.53 9.82 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 43' ' ' THR . 72.5 mmtt -95.87 172.96 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.467 HG21 HD22 ' A' ' 40' ' ' LEU . 92.9 m -112.85 140.27 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -109.59 113.59 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 40' ' ' LEU . 4.5 tp -85.73 136.9 33.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.5 tp -140.65 128.95 22.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.575 HG22 HD23 ' A' ' 38' ' ' LEU . 79.7 t -119.73 111.92 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HD3' ' NE2' ' A' ' 39' ' ' HIS . 8.5 ptm180 -93.05 142.2 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.15 148.19 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 5.8 t70 -60.23 -43.16 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -52.22 145.41 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -45.28 -39.64 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 58' ' ' LEU . 6.4 tt -61.35 106.84 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.83 114.39 4.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 12.2 p-10 -135.42 164.03 28.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -92.68 112.94 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.46 -44.54 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 tp -157.75 119.08 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -125.42 120.88 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -152.75 163.72 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 48' ' ' THR . 14.7 mt -109.26 122.49 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.59 112.97 5.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.94 17.71 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.342 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -27.25 26.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.14 106.87 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 ttp -137.45 131.25 17.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.67 54.66 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.429 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.6 p -128.33 129.55 46.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.13 119.37 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 1.9 mmm180 -96.8 110.94 23.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.441 HG23 ' CB ' ' A' ' 80' ' ' ASN . 10.7 t -108.53 166.58 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.25 -153.8 3.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -97.25 -50.14 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -116.68 17.99 15.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' CB ' HG23 ' A' ' 76' ' ' THR . 23.2 m120 -95.33 143.48 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -134.99 122.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 HD12 ' A' ' 103' ' ' LEU . 10.3 tp -103.34 136.96 42.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.0 pt -146.11 146.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 99' ' ' PRO . 7.4 t -110.88 116.7 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 27.5 m -153.05 154.22 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.6 111.57 20.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.642 0.734 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.477 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.79 134.9 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.45 114.75 25.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 170.0 60.3 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.335 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 114.27 3.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.23 -37.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -134.52 145.36 48.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 15.3 pt-20 -84.49 -23.78 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -47.8 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.25 17.55 23.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -48.38 -67.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 96' ' ' ALA . 38.6 p -36.92 -48.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.7 160.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.4 Cg_endo -69.74 164.83 33.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.1 p -110.59 151.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -89.67 110.33 21.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.408 ' HG3' HG13 ' A' ' 100' ' ' VAL . 10.3 mtp -116.22 150.88 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD12 HD13 ' A' ' 82' ' ' LEU . 4.5 tt -128.05 132.57 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.3 mt -101.09 143.74 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -132.08 117.13 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.86 177.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -71.15 -65.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 110' ' ' GLU . 3.2 t -113.86 144.48 42.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 112' ' ' ALA . 9.4 t -45.1 -51.91 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 4.8 pt-20 -41.18 -32.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 79.7 m-20 -71.22 -44.43 65.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -57.26 -51.52 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -46.92 -60.54 2.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.3 -43.48 61.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 116' ' ' HIS . 29.3 tp -58.92 -67.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 8.1 t-80 -36.5 -58.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' HIS . 28.9 tttp -37.02 -66.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.4 mt -37.09 -59.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.684 ' H ' HD12 ' A' ' 119' ' ' LEU . 6.8 mp -43.93 -38.62 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 123' ' ' LYS . 4.0 mm? -76.38 -40.96 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.29 -23.92 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -93.6 -46.22 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -59.44 -28.58 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.59 -49.47 68.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' VAL . 27.2 m -61.87 124.29 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 169.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -109.34 13.98 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.24 137.16 52.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -51.83 42.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -75.91 114.56 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 17.0 p90 -56.21 -49.25 74.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -98.7 118.7 36.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.6 p -133.49 109.19 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.34 136.8 35.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -74.73 139.1 43.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -163.64 166.22 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 11.6 mtmm -113.65 136.55 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.85 146.54 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 32' ' ' GLU . 83.9 m-85 -152.28 126.88 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 28.9 p90 -107.0 160.09 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -92.58 115.41 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -135.93 121.67 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.36 40.55 24.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 61.42 41.35 12.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -152.8 161.64 42.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -101.4 112.12 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 4.2 mmpt? -105.01 134.48 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 23' ' ' PHE . 6.3 tt0 -62.83 130.4 44.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -94.6 -43.45 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.62 121.51 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -69.77 133.9 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.4 -152.12 8.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -131.15 149.38 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -96.44 142.79 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 59.2 m-70 -142.95 126.63 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 13.1 mt -103.48 128.43 50.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -121.26 135.75 25.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.96 18.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 24.6 p -92.22 153.0 19.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -32.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' THR . 7.8 m-20 -94.46 -179.32 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -73.15 6.07 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.676 ' HD2' HD21 ' A' ' 66' ' ' LEU . 51.6 mttt -83.01 173.25 11.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.874 ' O ' HD12 ' A' ' 66' ' ' LEU . 70.1 m -131.36 121.8 25.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 tt0 -91.11 153.46 20.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.5 tt -121.48 141.69 50.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 tp -143.27 143.52 31.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.4 t -127.67 123.2 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -97.6 127.47 43.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 177.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -88.05 17.84 4.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 59' ' ' GLY . 15.2 t -97.28 148.94 22.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 1.6 t-20 -68.14 -48.54 65.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tp -49.72 -47.42 50.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.739 ' H ' HG23 ' A' ' 56' ' ' THR . . . 104.24 117.95 4.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -140.1 129.12 23.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.17 121.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.3 mt -93.0 -50.56 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.6 tp -146.62 125.27 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -133.68 102.29 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 86' ' ' VAL . 15.6 m -139.15 150.44 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 48' ' ' THR . 29.3 tp -95.48 133.94 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 ' HB ' ' A' ' 48' ' ' THR . 61.5 mt -61.82 110.94 3.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 170.08 17.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.87 31.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -146.5 123.02 11.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 ttp -152.23 119.58 3.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 133.16 24.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.2 p -111.55 134.5 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -140.38 122.89 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -91.82 131.25 37.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.1 t -140.62 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.86 -165.91 6.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -83.69 -55.81 4.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 26.6 p30 -117.86 17.92 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.596 ' HB3' HD11 ' A' ' 103' ' ' LEU . 11.0 m-20 -93.19 153.73 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.2 t -141.93 124.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 102' ' ' MET . 9.2 mt -100.39 124.77 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 pt -138.1 140.21 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.5 116.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.44 158.2 38.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.697 ' O ' HG11 ' A' ' 65' ' ' VAL . 86.0 t -77.17 121.3 84.39 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.81 41.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -144.2 113.37 5.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 170.09 60.24 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.321 -0.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.91 55.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.4 mt -87.88 -43.38 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -111.95 161.23 16.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -102.99 -37.44 7.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -37.78 -43.76 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -154.91 102.65 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.04 -51.61 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -40.57 -40.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.3 mtp -80.09 140.34 53.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 172.36 12.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.12 156.24 36.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.455 ' CG2' HD22 ' A' ' 82' ' ' LEU . 69.3 m -69.52 135.64 50.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.596 ' O ' HD23 ' A' ' 82' ' ' LEU . 5.3 mmt -127.99 149.48 50.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 80' ' ' ASN . 1.2 tm? -130.99 118.7 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.525 ' N ' HD13 ' A' ' 103' ' ' LEU . 45.7 mt -103.08 120.74 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 105' ' ' ARG . 4.6 tmt_? -110.04 107.89 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 34.9 m -89.46 172.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -70.08 -40.59 74.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.6 p -132.24 139.62 48.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.446 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 33.4 t -50.44 -50.81 51.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.6 pt-20 -43.16 -39.27 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 10.2 m-20 -65.52 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.33 93.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -49.27 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.52 -49.47 75.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.2 tp -53.3 -43.42 67.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.625 ' O ' HD23 ' A' ' 120' ' ' LEU . 26.6 t-80 -64.53 -43.94 92.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -59.58 -51.13 71.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.4 mt -53.62 -57.85 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -40.32 -38.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -74.64 -43.65 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.07 -48.56 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -78.15 9.77 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.494 ' CE ' HD13 ' A' ' 120' ' ' LEU . 11.2 ttpp -130.81 101.97 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.6 t70 62.88 42.15 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -149.38 139.99 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -143.5 115.1 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -98.17 -2.59 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.26 144.51 20.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -42.19 -48.84 4.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.14 137.59 32.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.6 p90 -94.1 -47.41 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 17.2 t80 -86.81 121.39 29.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.1 p -141.79 115.91 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' C ' HG23 ' A' ' 37' ' ' THR . 14.1 tppt? -152.88 129.37 10.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -61.76 142.66 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.63 177.54 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 5.2 mtmt -112.52 160.19 18.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -118.06 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 56.7 m-85 -149.44 145.8 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 2.8 p90 -129.34 153.07 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -84.91 107.16 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 50.4 mttp -142.03 137.69 31.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 55.27 36.32 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 56.93 35.1 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -154.26 142.93 20.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -83.66 112.14 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 31.3 mttp -105.17 164.9 11.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 35' ' ' ILE . 22.0 tt0 -96.08 124.9 40.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 24' ' ' TYR . 37.3 tttt -88.87 -44.6 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.63 137.64 2.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' A' ' 21' ' ' LYS . 28.8 mm -80.68 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 55' ' ' ASP . . . 171.9 -156.62 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 18' ' ' LYS . 25.2 m -129.84 146.69 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.136 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.4 tt -92.81 139.24 30.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -141.8 124.8 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 50' ' ' LEU . 67.4 mt -107.4 128.13 54.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -128.54 133.45 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 129.95 18.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 23.3 p -80.09 158.04 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.23 -27.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 3.1 m120 -102.52 -179.0 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.19 2.65 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -78.51 174.14 11.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 67' ' ' ILE . 98.1 m -131.33 134.34 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 14.6 tt0 -114.74 143.26 45.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 51' ' ' LEU . 9.0 tt -103.13 145.73 29.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 50' ' ' LEU . 40.9 tp -144.71 147.2 32.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.2 t -138.62 129.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -100.93 146.82 26.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.67 167.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' HB2' HG22 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -101.87 -32.18 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -80.9 16.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 m120 62.31 47.93 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 59' ' ' GLY . 10.0 tt -111.92 140.26 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' N ' HD23 ' A' ' 58' ' ' LEU . . . -73.97 80.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -155.93 151.13 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.2 mt -98.74 117.68 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.01 -49.9 16.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 tp -150.45 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 64' ' ' ASN . 19.2 t-20 -137.43 104.39 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 32.0 m -146.46 177.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mt -107.39 148.26 29.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.403 HD12 ' HB ' ' A' ' 48' ' ' THR . 88.1 mt -60.34 121.69 61.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.66 16.05 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 54.0 Cg_endo -69.81 108.14 2.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' PRO . 2.6 m120 66.3 47.95 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.734 ' N ' ' HZ3' ' A' ' 123' ' ' LYS . 13.9 tmm? -53.34 122.83 32.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 127.29 14.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 32.1 p -109.81 133.23 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.42 107.04 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 tpt85 -84.12 116.33 22.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.8 t -123.43 163.14 21.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.95 12.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -97.98 -50.86 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 46.1 p30 -117.68 17.96 14.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -93.22 138.81 31.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.21 104.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD13 HD12 ' A' ' 103' ' ' LEU . 10.2 tp -87.87 144.49 26.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 82' ' ' LEU . 14.7 pt -157.27 151.25 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.74 115.81 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.0 p -155.5 152.85 29.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' O ' HG11 ' A' ' 65' ' ' VAL . 84.2 t -69.34 120.77 79.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 119.16 6.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 29.0 t30 -119.6 118.37 32.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.04 65.32 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.346 -0.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 104.11 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -49.26 -42.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.98 176.77 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.77 -35.3 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -60.92 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.09 17.76 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.97 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 p -41.28 -49.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.7 mtp -76.77 144.49 73.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.7 18.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.22 152.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.9 m -69.24 107.71 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.9 mtp -107.53 135.73 48.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.494 HD12 HD13 ' A' ' 82' ' ' LEU . 1.9 tt -115.92 142.41 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.436 ' N ' HD23 ' A' ' 103' ' ' LEU . 18.9 mt -116.15 133.78 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -121.39 106.94 11.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 111' ' ' ASP . 10.3 p -86.63 168.04 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -66.86 -53.28 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 81.8 p -120.12 127.33 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' ALA . 47.3 t -42.8 -50.99 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' SER . 6.8 pt-20 -35.91 -41.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 106' ' ' VAL . 16.1 t70 -66.64 -47.43 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 109' ' ' SER . . . -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -51.95 -53.04 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.98 -54.39 42.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.53 -44.98 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.618 ' HA ' HD12 ' A' ' 119' ' ' LEU . 22.0 t-80 -68.06 -54.65 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -41.74 -66.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 121' ' ' GLU . 39.8 mt -39.75 -61.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 116' ' ' HIS . 16.2 mt -38.61 -55.39 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 4.2 mm? -54.66 -38.28 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 118' ' ' ILE . 60.3 mm-40 -69.41 -49.34 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -53.9 -48.7 69.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.734 ' HZ3' ' N ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -75.35 -41.16 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 5.0 m-20 -45.63 -54.92 6.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.63 137.47 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -122.86 145.74 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -92.2 133.65 35.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -145.41 131.61 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.85 -44.96 67.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 131.72 40.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 122' ' ' LYS . 44.7 p90 -80.73 -47.65 13.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 79.3 t80 -98.33 112.11 24.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.6 p -132.91 116.48 16.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.05 137.72 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -71.67 145.2 49.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -167.51 163.73 14.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' PHE . 11.2 ttmt -95.02 159.22 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 52' ' ' VAL . 13.7 mt -125.76 144.95 50.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 96.4 m-85 -148.96 154.92 40.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -136.97 141.51 42.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -86.03 103.61 14.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -129.51 122.08 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.2 t70 63.45 42.11 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 58.21 46.1 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -156.8 154.13 29.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -104.88 107.14 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -114.9 122.81 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -60.08 144.2 50.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HG3' HD22 ' A' ' 62' ' ' LEU . 22.2 tptp -96.12 -30.54 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.69 138.32 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -77.27 130.8 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.35 -153.15 7.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.3 m -132.59 142.35 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HG ' ' A' ' 40' ' ' LEU . 5.6 tt -91.2 143.22 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -138.52 113.28 9.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.572 ' HG ' HD21 ' A' ' 38' ' ' LEU . 29.6 mt -94.57 113.67 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.3 140.44 37.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.544 0.688 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.35 68.86 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 45' ' ' ASN . 10.4 t -118.68 170.74 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.82 -33.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' H ' HG23 ' A' ' 43' ' ' THR . 41.0 t30 -93.54 163.33 13.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -62.81 -7.77 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -81.77 168.18 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.821 ' O ' HD12 ' A' ' 66' ' ' LEU . 87.2 m -106.86 152.51 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.54 121.65 45.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.4 tm? -84.18 117.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 50' ' ' LEU . 23.5 tp -130.82 125.45 33.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 22' ' ' LEU . 86.9 t -115.19 113.6 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -92.61 117.23 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -63.2 161.89 12.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 37.9 t0 -111.1 103.99 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.534 HG22 ' HA2' ' A' ' 59' ' ' GLY . 15.3 t -156.81 167.82 29.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 56' ' ' THR . 84.9 m-20 -34.87 -62.15 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.71 -64.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 56' ' ' THR . . . 127.99 151.04 7.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.38 173.39 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -94.55 127.02 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.783 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 19.9 mt -97.37 -44.45 6.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' ' 88' ' ' ASN . 21.7 tp -155.3 117.63 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -129.56 107.49 9.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 27.0 m -147.41 171.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 48' ' ' THR . 19.5 tp -113.0 117.24 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' HB ' ' A' ' 48' ' ' THR . 94.6 mt -52.74 109.96 1.71 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.89 17.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.349 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.95 22.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -139.74 106.17 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 ttp -143.84 113.72 5.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.22 42.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.5 t -124.42 142.79 51.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.22 114.71 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.8 tpt85 -81.91 125.37 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.6 t -131.66 155.08 48.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.39 -158.07 23.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -97.63 -50.97 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -114.27 15.68 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -101.39 151.64 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.1 t -142.7 120.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 83' ' ' ILE . 12.0 mt -97.61 141.14 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' LEU . 11.8 pt -157.54 142.55 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.9 t -101.0 118.02 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.7 p -155.25 152.1 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.0 111.69 9.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.1 m-20 -120.74 116.61 31.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.0 Cg_endo -69.78 167.18 72.02 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.358 -0.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 146.36 60.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.2 mm -58.67 -42.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.0 p-10 -140.5 176.94 8.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.98 -34.94 15.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -65.81 -62.45 1.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -88.99 15.53 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -53.15 -56.54 15.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 t -57.58 -20.42 32.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.478 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.1 ttt -95.58 139.98 22.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 54.4 Cg_endo -69.73 161.81 44.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.11 156.16 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.7 m -69.87 138.59 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.2 mtt -134.87 138.1 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.71 119.38 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.7 mt -113.95 113.14 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -110.03 129.78 55.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 107' ' ' LYS . 6.2 p -98.43 168.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' H ' HG22 ' A' ' 106' ' ' VAL . 28.7 ttpp -61.16 -53.96 50.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.437 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 46.1 p -113.26 134.31 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.9 p -47.04 -52.02 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.14 -50.24 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.6 m-20 -52.28 -45.29 65.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -57.48 -47.41 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.09 -40.66 15.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 3.7 tp10 -68.64 -53.57 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.0 tp -44.0 -48.25 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 120' ' ' LEU . 19.7 t-80 -54.25 -48.05 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' LEU . 2.8 mptm? -67.03 -58.8 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 73.2 mt -41.45 -45.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.5 mt -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.496 HD11 ' CE1' ' A' ' 116' ' ' HIS . 93.3 mt -79.38 -26.76 41.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -80.21 -31.16 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 15' ' ' PHE . 33.4 mmtm -78.64 -44.19 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -56.47 -33.75 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 125' ' ' ALA . 0.4 OUTLIER -79.19 -45.66 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.447 ' N ' ' OD1' ' A' ' 124' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' O ' HG12 ' A' ' 9' ' ' VAL . 10.3 t -93.37 18.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -81.54 126.73 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -74.29 131.22 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -144.9 139.09 27.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -49.24 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -61.57 140.43 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 15.3 p90 -88.9 -45.25 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 47.8 t80 -91.86 118.88 31.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -135.17 121.12 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 139.29 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -69.29 144.96 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -165.28 169.05 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 20.2 mttm -116.4 125.33 51.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -85.75 127.26 34.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 98.0 m-85 -126.82 125.61 41.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 27.7 p90 -107.8 150.6 26.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 38.9 tptt -97.8 117.64 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -141.05 142.65 34.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 52.54 33.51 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.1 m120 65.46 39.68 5.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -153.42 161.32 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -100.31 116.95 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 20.2 mmmt -116.06 133.94 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -66.46 130.0 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 30.0 tptt -86.09 -41.98 14.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.94 134.37 1.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.541 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -71.48 134.05 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.56 -164.14 21.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -122.76 140.08 53.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.195 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.7 tm? -90.54 137.0 32.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.781 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.4 m-70 -135.57 111.78 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 49' ' ' GLN . 11.4 mt -97.05 106.47 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 136.27 19.8 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.23 20.82 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 49' ' ' GLN . 18.6 p -88.46 159.75 17.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.02 -32.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 2.5 t-20 -94.59 -178.85 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -75.54 10.33 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -85.67 178.72 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.642 ' CG2' HD22 ' A' ' 40' ' ' LEU . 31.5 m -130.15 133.63 46.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.755 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 tt0 -96.52 149.33 21.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -121.41 114.11 20.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD13 ' A' ' 50' ' ' LEU . 14.5 tp -134.09 133.91 41.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG22 HD23 ' A' ' 38' ' ' LEU . 82.7 t -122.77 127.41 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.82 142.34 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 60' ' ' ASN . . . -61.15 170.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -98.04 -41.55 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -60.23 152.79 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' LEU . 45.7 m-80 -49.04 -48.74 43.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' ASN . 22.8 mt -34.05 -48.36 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.46 100.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -143.04 146.45 33.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.82 125.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.19 -46.55 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 tp -155.18 115.17 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -125.19 102.39 7.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 86' ' ' VAL . 21.6 m -140.06 147.2 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 48' ' ' THR . 47.8 tp -87.77 131.36 34.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' A' ' 48' ' ' THR . 89.6 mt -63.97 112.01 6.56 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 111.129 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.89 17.88 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -5.5 16.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.84 117.7 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttt -147.14 119.56 4.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 130.56 19.56 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 9.0 m -112.28 146.19 38.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.405 ' CB ' ' HB3' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -143.81 117.71 9.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.4 tpt85 -85.58 127.62 34.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -140.82 139.65 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.33 -148.39 50.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -117.69 -37.99 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -117.91 17.94 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HB3' HD21 ' A' ' 103' ' ' LEU . 14.1 m-80 -115.54 137.0 52.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -120.69 109.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -86.82 124.4 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.8 pt -152.1 165.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.499 HG12 ' HB2' ' A' ' 99' ' ' PRO . 19.5 t -116.72 126.68 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 p -155.35 147.72 23.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' O ' HG11 ' A' ' 65' ' ' VAL . 88.1 t -73.85 119.67 77.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.75 123.45 10.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -127.19 115.57 21.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 158.21 91.22 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.373 -0.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 144.78 55.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.738 2.292 . . . . 0.0 112.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.84 -41.51 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -131.91 120.44 22.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.4 pt-20 -52.73 -25.71 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -54.2 46.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.73 16.32 23.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -44.26 -50.6 8.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.7 m -65.76 -43.03 90.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.1 ttt -75.73 132.38 74.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.499 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.7 Cg_endo -69.75 162.89 40.34 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 87' ' ' PRO . 20.4 m -122.12 159.66 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 82' ' ' LEU . 98.9 m -70.64 103.27 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.82 145.52 32.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.648 HD12 HD22 ' A' ' 82' ' ' LEU . 9.3 tt -136.1 146.52 47.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.579 ' N ' HD23 ' A' ' 103' ' ' LEU . 5.2 mp -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -101.81 120.06 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 112' ' ' ALA . 34.7 m -100.0 166.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -60.95 -62.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 46.1 p -111.97 142.73 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -49.77 -41.06 43.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 7.8 pt-20 -51.89 -38.23 55.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 53.5 m-20 -64.36 -41.12 96.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.07 -59.26 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -44.13 -48.35 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -55.71 -62.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.7 tp -47.67 -44.54 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.407 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 10.8 t-80 -63.29 -46.37 87.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -56.89 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLU . 80.2 mt -47.39 -66.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.02 -49.54 3.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.55 -37.32 70.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.6 mm-40 -75.09 -41.14 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.43 -45.74 91.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 21.2 pttt -63.01 -37.28 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 5.5 t0 -48.62 -52.56 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.94 133.82 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -113.67 151.57 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -72.27 174.65 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.06 -8.41 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -98.03 -38.86 9.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -110.33 138.34 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 38.9 p90 -78.64 -48.27 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.0 120.04 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 p -139.01 111.84 7.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -146.89 128.48 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' H ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.7 139.66 56.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 p -161.12 162.5 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HG3' HD12 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -93.76 173.27 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 52' ' ' VAL . 11.6 mt -139.49 139.54 37.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 21' ' ' LYS . 53.0 m-85 -151.08 138.47 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 21.6 p90 -118.58 150.7 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -88.58 116.9 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.24 127.69 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 55.96 39.18 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.9 t30 61.15 44.73 9.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -156.72 147.06 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.97 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 27.9 mmtt -94.43 158.66 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -92.36 121.07 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.86 -40.47 20.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.33 2.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 21' ' ' LYS . 11.0 mm -72.4 149.41 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 111.102 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.93 -157.77 24.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -128.88 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' ' 38' ' ' LEU . 7.5 tt -90.11 139.38 30.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -138.23 122.49 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 37.1 mt -103.67 115.53 30.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -124.42 144.71 46.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.6 30.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.622 2.215 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 47' ' ' LYS . 8.1 t -100.27 172.23 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.45 -43.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -91.06 176.59 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.87 2.47 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 43' ' ' THR . 26.1 mtpp -81.12 168.42 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 40' ' ' LEU . 91.6 m -108.14 136.58 47.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' HD23 ' A' ' 66' ' ' LEU . 21.5 tt0 -100.59 117.23 34.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 50' ' ' LEU . 1.1 tm? -81.8 118.3 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 tp -130.7 141.6 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 22' ' ' LEU . 86.8 t -135.22 113.89 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -94.06 135.25 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.91 174.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -94.6 -18.36 21.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.15 139.33 39.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' LEU . 69.1 m-80 -42.92 -60.49 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -36.39 -36.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.747 ' O ' HD12 ' A' ' 58' ' ' LEU . . . 62.31 136.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.44 15.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.36 110.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.29 -53.64 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -150.43 120.46 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.4 105.93 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.57 159.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 49' ' ' GLN . 17.0 mt -98.76 135.26 40.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 119' ' ' LEU . 56.7 mt -67.98 112.32 10.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.5 21.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.332 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -15.14 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -141.35 109.27 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.2 ttp -143.04 122.19 7.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 127.21 14.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 116' ' ' HIS . 72.9 m -114.14 133.8 55.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 p -137.01 117.34 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -92.08 111.85 23.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 82' ' ' LEU . 10.6 t -115.25 166.52 11.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.14 -153.13 35.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -97.1 -55.94 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 23.7 p-10 -117.07 17.14 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.01 151.11 21.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.15 105.5 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' CD1' HG21 ' A' ' 76' ' ' THR . 11.0 mt -92.59 139.5 30.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 pt -154.2 166.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 99' ' ' PRO . 3.8 t -118.82 113.09 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.4 p -152.22 146.77 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.4 t -69.15 118.35 60.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 127.52 14.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.423 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 4.2 m120 -125.46 120.09 24.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.79 161.15 86.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.97 43.84 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -78.02 -42.41 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.28 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -114.86 -34.3 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -79.47 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -79.76 11.15 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.33 -65.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 m -43.2 -49.24 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.0 ttt -64.64 133.5 95.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.671 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.79 156.3 63.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.57 152.39 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.501 ' CG2' HD22 ' A' ' 82' ' ' LEU . 7.6 m -68.95 133.73 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' HD23 ' A' ' 82' ' ' LEU . 8.4 mtp -130.81 142.97 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.27 139.23 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.4 mt -127.36 127.12 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -103.47 115.85 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.628 HG21 ' N ' ' A' ' 112' ' ' ALA . 27.5 m -97.03 177.85 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -49.52 -61.64 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.3 p -145.69 168.55 20.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -47.68 -30.93 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 110' ' ' GLU . 2.0 tp10 -65.58 -40.98 93.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -66.17 -36.85 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.628 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -54.56 -65.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -39.25 -61.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -44.47 -55.35 5.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.14 -59.11 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 73' ' ' CYS . 53.7 t-80 -47.54 -64.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -38.3 -66.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.8 mt -37.13 -65.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -44.17 -44.68 7.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.971 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.88 -58.92 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.53 -53.48 4.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -67.79 -42.6 81.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 124' ' ' ASP . 13.7 ttpp -44.27 -46.57 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 123' ' ' LYS . 20.2 t0 -37.91 -59.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.909 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 9' ' ' VAL . 9.1 p -117.46 18.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -109.22 141.42 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -86.99 7.21 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -69.43 140.26 54.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.17 -61.56 2.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.73 152.44 44.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.595 ' CE2' ' O ' ' A' ' 40' ' ' LEU . 43.0 p90 -93.95 -48.75 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 72.5 t80 -95.27 114.14 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 m -132.85 105.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -141.8 126.17 17.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 141.24 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -162.26 174.94 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -120.36 141.25 50.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.31 141.34 29.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -140.38 123.98 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -111.76 153.5 26.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -85.67 114.91 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -134.22 122.51 22.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.32 40.31 11.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m120 60.09 42.65 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -159.46 160.17 34.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -91.8 125.13 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -114.88 163.5 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -92.85 116.7 29.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -81.67 -43.14 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.31 141.38 3.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -85.76 120.89 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.94 -159.21 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.5 m -125.16 149.84 47.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 50' ' ' LEU . 10.3 tt -101.07 141.19 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -133.09 142.41 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD21 HD12 ' A' ' 50' ' ' LEU . 53.9 mt -131.85 117.51 18.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.32 149.16 66.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.49 45.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -98.36 169.52 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.16 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.71 17.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 58.93 38.36 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HD3' HD21 ' A' ' 66' ' ' LEU . 3.0 mtpm? -119.52 177.76 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.2 m -115.94 108.26 16.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -93.46 138.17 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 HD21 ' A' ' 40' ' ' LEU . 5.4 tp -97.44 130.36 44.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 tp -140.27 142.17 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.7 t -129.21 127.13 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.8 132.3 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.3 171.68 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -91.81 -48.8 6.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 t -56.61 147.02 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -41.02 -46.89 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.77 104.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.62 132.4 32.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -157.18 140.56 15.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -81.85 117.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -85.75 -50.93 6.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' H ' ' A' ' 88' ' ' ASN . 4.2 tp -151.49 118.67 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -125.25 103.89 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.7 m -146.61 154.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD21 ' HD3' ' A' ' 47' ' ' LYS . 49.2 tp -95.61 144.73 25.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 70.9 mt -67.94 111.88 9.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.749 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.6 Cg_endo -69.76 169.67 18.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.19 14.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -123.71 113.34 18.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 ttt -146.34 117.98 4.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.22 53.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.424 ' SG ' HD11 ' A' ' 120' ' ' LEU . 30.0 p -124.51 135.25 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 p -140.32 108.07 5.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.669 ' NH1' ' HB1' ' A' ' 112' ' ' ALA . 6.6 mmm180 -83.34 115.06 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -116.43 131.65 56.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.51 -150.03 41.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -118.02 -32.94 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.438 ' ND2' ' HE ' ' A' ' 105' ' ' ARG . 4.1 p-10 -117.99 18.0 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 103' ' ' LEU . 61.4 m-20 -127.43 147.47 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -141.39 118.0 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 102' ' ' MET . 10.0 mt -91.03 128.55 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.9 pt -140.16 147.95 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.8 t -107.63 111.75 37.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 76.0 m -150.4 157.37 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.88 117.67 63.04 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.649 0.738 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.1 Cg_endo -69.84 132.23 22.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.3 t-20 -128.47 114.28 19.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.589 0.709 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.3 Cg_endo -69.79 166.8 73.19 Favored 'Cis proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.312 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.34 53.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.419 HG22 ' OD1' ' A' ' 92' ' ' ASP . 34.1 mm -59.64 -44.21 92.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.756 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 1.5 m-20 -139.75 165.51 27.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.28 -28.61 38.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -73.96 -48.0 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -100.66 17.4 21.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -59.02 -46.07 89.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 84.8 m -63.97 -40.3 96.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.7 mtt -79.61 142.88 58.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 165.79 29.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.429 HG22 ' HD3' ' A' ' 87' ' ' PRO . 5.6 m -128.55 151.72 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.446 ' CG2' HD22 ' A' ' 82' ' ' LEU . 34.0 m -69.05 137.0 53.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.553 ' O ' HD23 ' A' ' 82' ' ' LEU . 3.6 mtt -132.26 150.8 52.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 80' ' ' ASN . 1.9 tm? -131.85 118.1 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.6 mt -93.0 113.8 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.438 ' HE ' ' ND2' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -100.59 112.23 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.94 164.22 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -68.98 -51.05 43.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.9 p -110.86 142.59 42.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.2 p -55.76 -46.7 77.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.75 -47.35 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -48.45 -48.5 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' ' NH1' ' A' ' 75' ' ' ARG . . . -52.56 -56.97 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -46.03 -47.76 16.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -62.64 -51.48 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 104' ' ' ILE . 22.0 tp -48.27 -50.05 31.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.675 ' O ' HD23 ' A' ' 120' ' ' LEU . 36.5 t-80 -57.1 -55.23 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -49.8 -60.7 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' HA ' ' CD ' ' A' ' 121' ' ' GLU . 70.0 mt -48.86 -39.56 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.9 mt -66.71 -33.99 76.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.5 mm? -76.3 -47.68 22.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.474 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 9.8 pt-20 -64.24 -43.82 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -56.95 -45.24 82.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -71.69 -34.41 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.1 t70 -49.5 -50.43 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 34.3 m -136.84 128.38 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.43 151.39 22.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -145.23 136.03 24.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.62 176.25 7.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -40.52 -47.19 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -102.79 126.86 50.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 50.1 p90 -68.72 -46.04 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' A' ' 118' ' ' ILE . 47.8 t80 -98.58 119.02 36.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -132.08 106.22 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -137.42 135.82 37.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.72 139.86 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.2 p -164.91 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.9 168.57 9.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.65 133.93 44.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.97 151.69 48.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.834 ' CD2' HD13 ' A' ' 91' ' ' ILE . 4.6 p90 -134.19 151.39 51.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -87.69 111.82 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -132.2 125.54 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.67 43.69 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 59.29 39.16 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.74 167.39 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -108.89 123.53 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -118.42 153.16 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.62 128.37 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -91.37 -41.8 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.42 127.9 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.7 mt -74.8 140.38 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.56 -157.69 13.12 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.4 m -125.16 134.71 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 39' ' ' HIS . 3.4 tm? -86.1 136.92 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.7 ' N ' HD13 ' A' ' 38' ' ' LEU . 88.7 m-70 -133.17 120.45 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 38' ' ' LEU . 13.3 mt -104.03 134.57 47.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -147.05 134.51 10.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.678 . . . . 0.0 110.907 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.29 53.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.4 p -100.81 166.45 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -30.13 64.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -83.99 13.42 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 60.81 36.84 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.4 mtpp -107.57 178.4 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.525 HG22 HD12 ' A' ' 67' ' ' ILE . 24.3 m -121.24 105.17 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -97.59 147.25 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.5 tp -104.81 134.79 47.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -143.73 122.05 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' HD23 ' A' ' 38' ' ' LEU . 81.5 t -119.51 115.32 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -88.19 137.69 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.06 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.09 -47.03 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.3 t -54.66 156.86 3.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -41.96 -48.77 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 tp -58.29 114.8 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.64 47.43 2.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.76 126.42 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.18 121.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.98 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.66 117.83 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 20.2 t-20 -125.39 107.49 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.9 m -143.92 152.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 47' ' ' LYS . 21.5 tp -91.63 119.26 31.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.696 HG23 ' SD ' ' A' ' 71' ' ' MET . 94.6 mt -56.44 108.83 1.34 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 71' ' ' MET . 53.8 Cg_endo -69.79 164.68 33.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.6 18.09 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.696 ' SD ' HG23 ' A' ' 67' ' ' ILE . 10.7 ttp -52.09 107.13 0.76 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.588 0.709 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 53.9 Cg_endo -69.77 126.12 12.93 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.664 ' HG ' ' CD2' ' A' ' 116' ' ' HIS . 6.4 t -115.8 136.99 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -134.62 107.46 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -74.93 115.39 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.701 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.5 t -114.63 151.71 33.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.3 -144.42 6.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -117.67 -32.57 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.517 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.6 OUTLIER -118.0 5.58 12.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.701 ' HB2' HG23 ' A' ' 76' ' ' THR . 35.2 m-20 -103.9 152.12 22.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.7 t -141.92 114.56 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 102' ' ' MET . 11.0 mt -97.92 142.22 29.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' LEU . 22.2 pt -157.4 166.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.1 t -119.1 119.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.83 144.99 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.58 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.9 t -69.13 117.52 52.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 120.2 7.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -126.13 116.5 23.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.742 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.08 84.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.344 -0.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.52 42.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.834 HD13 ' CD2' ' A' ' 24' ' ' TYR . 35.3 mt -77.35 -41.27 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.26 153.29 24.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -100.05 -32.05 11.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 1.6 mmpt? -45.84 -38.24 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -157.53 103.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.67 -44.2 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -47.6 -27.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.5 ttt -89.26 129.8 46.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.81 20.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.9 m -130.94 155.8 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.506 ' CG2' HD22 ' A' ' 82' ' ' LEU . 40.3 m -70.6 138.58 50.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.619 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.6 mtp -128.6 149.21 50.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -127.16 121.56 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.587 ' N ' HD13 ' A' ' 103' ' ' LEU . 57.5 mt -106.2 114.34 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -108.72 109.92 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 107' ' ' LYS . 14.1 p -92.73 161.32 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.9 tppt? -47.1 -65.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 106' ' ' VAL . 78.5 p -111.57 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.7 p -56.13 -50.94 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.35 -40.17 7.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 106' ' ' VAL . 9.5 m-20 -59.64 -47.82 84.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.48 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -51.88 -51.46 56.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -38.33 -57.5 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.9 -46.03 78.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.5 tp -56.8 -54.62 44.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.664 ' CD2' ' HG ' ' A' ' 73' ' ' CYS . 51.7 t-80 -52.61 -38.84 60.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -66.84 -57.53 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.501 HD13 ' CD2' ' A' ' 16' ' ' TYR . 55.1 mt -42.63 -45.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 116' ' ' HIS . 22.7 mt -56.47 -47.64 78.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 116' ' ' HIS . 82.5 mt -67.29 -65.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.468 ' CD ' ' HA ' ' A' ' 118' ' ' ILE . 13.0 pt-20 -41.73 -45.42 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -74.13 -42.78 59.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -42.32 -58.48 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -52.46 -52.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 9' ' ' VAL . 12.5 t -93.15 17.85 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.176 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -132.32 157.06 45.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -93.47 147.26 23.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -77.88 -7.04 56.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -38.39 -39.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.33 140.67 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 51.7 p90 -56.97 -41.94 79.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 39.3 t80 -111.18 111.33 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -132.13 118.99 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -154.38 129.37 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -61.48 138.46 58.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 19.7 p -160.06 163.0 34.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -93.45 175.06 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.17 126.37 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 40.4 m-85 -134.45 140.81 46.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 52.3 p90 -123.86 144.74 49.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -87.22 109.39 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -134.25 123.25 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 61.78 41.0 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m120 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -157.07 145.25 19.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -93.69 119.55 32.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 mmpt? -112.92 132.86 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -66.26 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -70.2 -42.67 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.51 124.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 mt -62.95 133.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 111.092 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.96 179.66 38.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.1 m -103.21 128.84 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.155 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -85.33 139.48 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.741 ' N ' HD13 ' A' ' 38' ' ' LEU . 20.1 m-70 -139.25 130.03 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 50' ' ' LEU . 90.0 mt -106.3 121.07 43.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -119.47 128.91 25.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.03 55.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 p -109.24 162.7 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.51 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -88.01 12.64 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 62.28 32.76 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.859 ' HB3' HD11 ' A' ' 66' ' ' LEU . 29.6 mmtm -108.21 176.05 5.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 66' ' ' LEU . 59.9 m -118.54 111.12 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -97.4 121.01 38.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD12 HD21 ' A' ' 40' ' ' LEU . 2.0 tp -80.92 133.49 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.76 112.92 6.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.4 t -108.58 131.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -101.33 138.25 38.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 139.17 54.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.46 -38.96 82.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.0 p -58.59 149.32 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' LEU . 61.1 m-80 -53.28 -47.63 68.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mp -36.77 -42.98 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 124.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.445 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -159.05 153.41 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.2 mt -74.2 119.09 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.74 -48.21 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD12 ' H ' ' A' ' 88' ' ' ASN . 11.8 tp -151.02 113.65 4.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -123.56 106.39 10.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG11 ' O ' ' A' ' 86' ' ' VAL . 14.7 m -148.9 157.65 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' ' 47' ' ' LYS . 27.1 tp -98.47 136.63 38.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 119' ' ' LEU . 85.7 mt -64.48 111.93 6.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.09 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.31 3.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -113.23 114.49 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -153.61 123.95 3.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.97 15.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.52 136.12 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.6 p -142.54 111.18 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.538 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.9 mmm180 -96.24 120.29 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 80' ' ' ASN . 1.7 t -117.37 166.72 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 43.96 -155.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -97.8 -41.04 8.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.812 0.339 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -117.47 17.03 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.72 ' CB ' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.62 131.39 46.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.99 110.12 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.68 132.04 41.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.2 pt -146.41 137.93 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -95.02 114.82 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -153.65 162.51 41.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.607 ' O ' HG11 ' A' ' 65' ' ' VAL . 81.1 t -77.28 119.62 78.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.3 Cg_endo -69.75 129.47 17.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.571 ' H ' HD12 ' A' ' 63' ' ' LEU . 4.9 m120 -124.66 118.07 26.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.8 165.62 76.29 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.291 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.82 13.79 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.63 -45.78 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 4.2 t0 -105.99 149.76 26.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.49 -44.61 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.07 -52.65 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.8 m120 -75.56 -3.19 32.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -36.47 -65.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.9 p -50.1 -47.72 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.11 136.4 96.73 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.58 18.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.5 m -140.18 158.84 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.2 m -69.06 135.51 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.0 mtp -139.09 126.05 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 104' ' ' ILE . 10.3 tt -113.17 143.95 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.408 ' N ' HD23 ' A' ' 103' ' ' LEU . 83.8 mt -123.0 133.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -119.09 102.45 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 108' ' ' THR . 29.8 m -82.63 157.67 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -58.31 6.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 106' ' ' VAL . 3.5 t -112.25 149.83 31.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.6 p -58.51 -50.05 75.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -43.78 -46.17 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.4 ' H ' HG23 ' A' ' 108' ' ' THR . 16.3 m-20 -52.35 -44.2 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.92 -51.03 69.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -44.88 -36.56 3.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' LEU . 8.6 mm-40 -76.76 -66.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLU . 19.7 tp -35.01 -47.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.3 t-80 -65.37 -58.54 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -50.72 -63.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.8 mt -44.42 -43.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.552 ' CD2' HD11 ' A' ' 67' ' ' ILE . 22.0 mt -61.52 -32.18 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.2 mt -81.63 -35.07 30.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.69 -44.59 63.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -57.85 -47.42 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -34.54 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -57.42 -52.64 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.4 m -128.43 138.81 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -156.67 134.35 10.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.89 127.91 34.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' ASP . 48.5 tt0 -141.13 131.28 24.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . 37.7 t0 -34.47 -57.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -97.74 123.18 41.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 16.3 p90 -64.29 -39.6 94.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -106.51 120.43 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.906 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 3.6 t -141.92 116.94 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 139.61 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -70.23 152.93 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.6 p -167.98 174.94 7.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -110.39 126.06 53.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.44 134.56 33.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -139.65 135.73 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 10.2 p90 -123.7 141.78 51.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -86.32 105.13 16.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -127.33 121.01 29.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.39 38.67 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 t30 62.47 42.01 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -154.14 146.42 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.85 112.21 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 7.3 mmpt? -110.91 148.59 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.15 119.3 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.02 -38.68 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.73 130.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 36' ' ' GLY . 16.2 mt -74.72 152.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 35' ' ' ILE . . . 179.01 -145.29 6.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -133.34 120.85 21.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -84.98 137.54 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' N ' HD22 ' A' ' 38' ' ' LEU . 59.3 m-70 -131.45 142.07 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 12.5 mt -121.65 118.14 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 150.37 52.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 45' ' ' ASN . 14.2 t -121.94 177.32 5.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.96 -39.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.602 ' H ' HG23 ' A' ' 43' ' ' THR . 3.8 m120 -101.32 162.41 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -57.39 164.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.615 ' O ' HD12 ' A' ' 66' ' ' LEU . 94.4 m -112.08 131.22 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -93.45 132.4 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.859 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -98.47 125.41 43.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.7 tp -139.14 141.42 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 38' ' ' LEU . 92.7 t -129.32 121.71 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -85.73 155.62 20.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.6 147.42 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -24.1 65.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -71.14 143.81 50.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -44.1 -48.79 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pp -62.61 126.51 27.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.05 105.8 1.52 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.7 t30 -126.7 123.47 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.03 -45.83 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 tp -154.77 113.49 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -120.54 105.27 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 28.2 m -148.52 148.79 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 48' ' ' THR . 15.9 tp -90.87 136.78 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.78 113.95 17.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.03 17.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.12 24.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.34 111.07 13.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttp -139.79 121.44 9.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.529 0.68 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 136.7 33.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.633 ' SG ' HD21 ' A' ' 120' ' ' LEU . 28.2 p -118.73 132.2 56.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.4 p -134.45 107.97 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 tpt85 -80.47 113.41 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 80' ' ' ASN . 4.2 t -112.06 159.83 18.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 38.92 -156.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 23.0 pttp -95.08 -48.75 5.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 20.4 p-10 -109.52 15.94 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.795 ' HB2' HG23 ' A' ' 76' ' ' THR . 18.6 m120 -103.33 137.28 41.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 31.8 t -133.44 116.14 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.488 HD22 ' CG2' ' A' ' 101' ' ' THR . 11.0 mt -96.86 133.15 41.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.0 pt -145.78 140.57 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 t -100.87 111.96 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 p -152.31 150.45 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -69.73 117.09 50.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.5 Cg_endo -69.82 126.66 13.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 2.5 m120 -123.02 121.14 27.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.74 165.67 75.99 Favored 'Cis proline' 0 C--N 1.342 0.22 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.35 -0.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.63 45.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.13 -43.81 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t0 -113.55 152.2 30.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.29 -12.82 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -97.63 -37.01 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -101.26 0.79 38.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -37.34 -63.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.0 p -49.64 -47.97 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.2 ttt -70.18 135.63 86.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.539 0.685 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.2 35.43 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.443 HG22 ' HD3' ' A' ' 87' ' ' PRO . 4.4 m -127.99 155.77 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.488 ' CG2' HD22 ' A' ' 82' ' ' LEU . 18.6 m -71.03 136.7 48.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 mtp -130.77 142.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 104' ' ' ILE . 1.1 tm? -124.02 122.9 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.624 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.0 mt -107.4 118.19 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -104.1 114.01 27.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.8 m -94.43 165.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.707 ' HG3' HG22 ' A' ' 108' ' ' THR . 2.4 ptmm? -50.98 -58.77 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.707 HG22 ' HG3' ' A' ' 107' ' ' LYS . 1.8 t -129.77 144.55 51.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 112' ' ' ALA . 91.7 p -45.2 -55.21 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.564 ' HG2' HG23 ' A' ' 108' ' ' THR . 4.6 pt-20 -38.53 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' SER . 3.7 t70 -73.92 -46.96 41.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 114' ' ' GLU . . . -57.25 -43.16 82.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -40.22 -25.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.555 ' CG ' HD11 ' A' ' 118' ' ' ILE . 3.9 tp10 -92.85 -55.75 3.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.592 HD23 HG21 ' A' ' 81' ' ' VAL . 20.5 tp -39.45 -28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' GLU . 44.9 t-80 -80.83 -69.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 114' ' ' GLU . 11.0 ptmt -44.71 -48.85 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 114' ' ' GLU . 73.3 mt -50.47 -58.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.45 -44.7 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.633 HD21 ' SG ' ' A' ' 73' ' ' CYS . 21.7 mt -62.25 -36.82 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -70.85 -40.48 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.42 ' HD3' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -57.21 -42.39 81.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.587 ' CE ' HD23 ' A' ' 120' ' ' LEU . 9.8 pttp -80.15 -41.45 25.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 8.0 m-20 -58.58 -54.4 47.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.639 HG22 ' H ' ' A' ' 11' ' ' GLU . 12.1 p -83.09 133.61 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 16.14 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.639 ' H ' HG22 ' A' ' 9' ' ' VAL . 1.5 tm-20 -146.36 108.75 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 4.9 pt-20 -141.65 138.85 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' GLU . 4.6 m-20 -34.44 -61.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -67.29 151.01 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 40' ' ' LEU . 33.8 p90 -97.49 -50.18 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -123.36 120.1 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -149.55 132.75 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -73.44 142.48 46.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 p -167.51 174.3 7.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -103.73 162.12 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -128.95 137.62 51.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -143.36 130.08 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 14.3 p90 -110.07 143.57 39.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -87.42 111.21 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -137.25 138.12 39.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.1 40.55 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 57.73 47.28 15.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -162.46 154.28 18.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -98.41 120.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 4.9 mmpt? -121.83 121.24 36.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.39 132.81 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -89.05 -41.79 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.18 122.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -67.72 135.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.01 -158.9 20.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.9 m -124.92 137.16 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 50' ' ' LEU . 2.3 tt -89.3 146.04 24.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 97.3 m-70 -135.89 114.13 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 11.6 mt -95.93 117.86 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -131.63 135.4 26.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 127.7 14.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.796 HG22 ' C ' ' A' ' 47' ' ' LYS . 5.0 t -103.06 171.05 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 43' ' ' THR . . . -64.26 172.65 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 m120 61.19 31.97 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 51.21 45.18 28.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.796 ' C ' HG22 ' A' ' 43' ' ' THR . 21.4 mmtt -121.46 172.21 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.535 ' O ' HD13 ' A' ' 66' ' ' LEU . 89.6 m -126.2 125.19 42.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -95.6 125.91 40.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.681 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 tm? -95.34 116.4 28.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.671 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.1 tp -123.61 145.44 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.39 122.62 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' NE2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -97.59 147.64 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 147.77 49.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.05 -46.3 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.6 p -52.52 162.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -47.19 -51.36 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -58.26 131.45 50.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.12 96.99 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 2.8 p-10 -119.08 130.5 55.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -53.82 112.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 62' ' ' LEU . 12.6 mt -80.43 -45.02 18.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 88' ' ' ASN . 13.9 tp -157.7 112.37 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -119.8 102.15 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 m -149.8 162.86 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.595 HD11 HG21 ' A' ' 43' ' ' THR . 4.3 mm? -83.34 166.88 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 65.6 mt -113.06 102.01 54.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.684 0.754 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.73 150.98 69.13 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.98 29.14 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -88.0 16.99 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.4 ttt -75.23 119.81 78.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.34 24.75 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 16.7 p -141.51 133.32 27.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -144.06 102.03 3.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 80' ' ' ASN . 3.6 mmm180 -85.56 129.54 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.739 HG23 ' HB2' ' A' ' 80' ' ' ASN . 5.9 t -125.52 146.92 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.71 -142.72 48.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 78' ' ' LYS . 3.0 ttmp? -117.96 -36.57 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -115.76 13.56 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.739 ' HB2' HG23 ' A' ' 76' ' ' THR . 10.9 m120 -115.3 149.25 38.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 116' ' ' HIS . 11.9 p -152.63 122.83 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD22 ' CG2' ' A' ' 101' ' ' THR . 16.3 mt -92.13 152.25 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 82' ' ' LEU . 2.4 pp -158.36 152.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.6 121.15 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.2 p -154.8 157.91 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.25 123.86 70.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.064 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.8 Cg_endo -69.81 131.21 20.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 63' ' ' LEU . 41.6 t30 -134.76 112.59 11.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.75 170.0 60.56 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.337 -0.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 55.2 mt -92.97 -40.92 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -114.08 117.52 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.0 tt0 -61.41 -45.08 95.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 93' ' ' GLU . 14.1 mmtp -34.29 -44.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -152.73 102.79 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' THR . . . -92.64 -60.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' ALA . 41.0 m -35.71 -42.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 ttt -65.2 131.63 95.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.41 19.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.242 . . . . 0.0 112.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.464 HG22 ' HD3' ' A' ' 87' ' ' PRO . 6.4 m -136.46 153.93 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.503 ' CG2' HD22 ' A' ' 82' ' ' LEU . 95.3 m -71.47 132.72 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtt -132.79 126.87 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 tt -106.63 138.67 42.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.675 HD13 HD21 ' A' ' 115' ' ' LEU . 45.5 mt -119.55 117.34 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.32 103.16 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.773 HG21 ' N ' ' A' ' 112' ' ' ALA . 8.0 m -87.29 178.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.41 -67.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.411 ' HB ' ' CD ' ' A' ' 110' ' ' GLU . 81.8 p -82.98 151.84 25.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 p -66.16 -47.15 74.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 24.5 pm0 -54.65 -28.72 49.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' N ' ' HG2' ' A' ' 110' ' ' GLU . 6.5 m-20 -66.52 -54.83 19.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.773 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -48.9 -58.8 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -55.58 -42.35 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.96 -36.84 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.675 HD21 HD13 ' A' ' 104' ' ' ILE . 31.6 tp -69.6 -57.86 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.624 ' HB2' HG21 ' A' ' 81' ' ' VAL . 9.6 t-80 -51.0 -42.88 60.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -59.84 -67.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.564 HG22 ' HD3' ' A' ' 122' ' ' LYS . 57.9 mt -38.79 -54.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -45.32 -53.65 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 73' ' ' CYS . 53.2 mt -47.82 -36.05 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -74.68 -57.26 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.564 ' HD3' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -50.65 -46.06 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 30.9 pttt -62.16 -43.3 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.484 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 28.2 m-20 -50.54 -48.99 57.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.878 0.371 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.86 160.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -110.18 169.49 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.71 107.1 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -135.69 168.97 18.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -45.53 75.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -86.36 128.66 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 37.3 p90 -75.36 -49.08 20.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 38.1 t80 -83.92 108.75 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.6 p -126.55 108.25 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -146.97 136.14 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 140.54 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 105' ' ' ARG . 16.8 p -162.11 159.18 25.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -95.53 168.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -133.33 134.92 44.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 10.9 m-85 -140.88 153.89 45.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -134.19 153.17 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -89.44 114.03 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 126.26 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.9 t0 59.59 38.82 22.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.55 41.81 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -156.13 161.14 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -107.78 116.46 31.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -106.82 153.85 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -85.37 116.41 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -75.38 -40.91 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.31 131.84 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.45 144.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.089 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.22 -154.72 11.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -126.41 143.82 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.806 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.2 tm? -101.2 139.86 36.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.658 ' H ' HD22 ' A' ' 38' ' ' LEU . 20.0 m-70 -137.46 118.02 13.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD22 ' CG2' ' A' ' 48' ' ' THR . 26.0 mt -93.03 106.61 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 29.5 mtmt -107.22 121.79 43.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.42 24.53 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.342 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -128.15 170.13 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.25 -21.93 62.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -86.37 18.01 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 62.87 35.41 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -121.07 176.68 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' HD22 ' A' ' 40' ' ' LEU . 90.9 m -130.28 132.1 45.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -103.06 128.1 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -83.97 125.53 32.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.636 ' N ' HD13 ' A' ' 50' ' ' LEU . 5.2 tp -141.68 133.46 27.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.9 t -127.55 119.32 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -85.68 149.54 25.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.48 158.93 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -96.85 -42.44 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' ASN . 11.0 t -55.03 149.68 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' THR . 18.1 p-10 -35.01 -42.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.33 119.95 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.66 46.27 3.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -92.3 123.82 35.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.3 145.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -97.09 -47.06 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 tp -153.18 112.66 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' CB ' HD12 ' A' ' 51' ' ' LEU . 44.5 t-20 -125.65 102.25 7.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG11 ' O ' ' A' ' 86' ' ' VAL . 32.9 m -143.47 150.09 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -91.86 128.23 37.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.434 HD12 ' HB ' ' A' ' 48' ' ' THR . 97.5 mt -57.48 113.61 6.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.11 37.28 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.43 104.94 7.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 ttp -144.06 125.32 7.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 154.54 67.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 25.8 p -134.5 135.5 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.56 103.24 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -78.11 107.52 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.62 HG23 ' HB2' ' A' ' 80' ' ' ASN . 14.3 t -108.08 162.14 14.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.97 -159.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -96.45 -44.66 7.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 11.7 p-10 -118.0 16.39 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.62 ' HB2' HG23 ' A' ' 76' ' ' THR . 28.2 m120 -100.56 135.19 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.77 106.33 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 82' ' ' LEU . 8.9 tp -86.46 128.08 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.9 pt -143.91 144.84 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.3 t -105.0 120.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.5 162.7 41.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.556 ' O ' HG11 ' A' ' 65' ' ' VAL . 47.0 t -80.03 122.56 83.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.73 118.6 5.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -122.63 115.23 29.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 166.37 74.35 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.313 -0.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.89 41.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.2 mt -77.55 -43.81 29.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.31 147.19 28.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.28 -40.58 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ASN . 3.0 pttm -47.2 -30.53 3.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 25.7 m-80 -157.71 103.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -92.2 -58.72 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 m -43.08 -42.39 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpp -58.85 124.74 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 164.16 35.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.335 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.456 HG22 ' HD3' ' A' ' 87' ' ' PRO . 10.8 m -133.33 157.92 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.5 m -72.87 118.5 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.4 mmt -120.29 136.76 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 80' ' ' ASN . 2.5 tt -117.84 138.93 51.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 104' ' ' ILE . 4.3 mp -128.22 131.23 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 6.1 ptm180 -117.59 145.87 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' N ' ' A' ' 112' ' ' ALA . 12.3 m -122.49 162.52 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -61.18 2.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 106' ' ' VAL . 4.6 t -101.83 159.63 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.5 t -66.92 -47.31 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.34 -30.2 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -70.02 -40.57 75.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.636 ' N ' HG21 ' A' ' 106' ' ' VAL . . . -61.61 -56.56 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.14 -44.86 88.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 118' ' ' ILE . 35.2 tp10 -64.78 -63.98 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 7.0 tp -39.17 -41.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 73' ' ' CYS . 5.6 t-160 -75.29 -39.09 60.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' GLU . 38.3 mtpt -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.7 mp -50.69 -63.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.884 ' C ' HD12 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -55.82 -32.97 64.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 119' ' ' LEU . 20.8 mt -70.33 -27.22 64.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -86.84 -37.02 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.409 ' CG ' ' OG1' ' A' ' 48' ' ' THR . 28.8 mmtm -73.34 -44.08 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 14.2 pttp -50.11 -39.53 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 3.9 t70 -80.32 -45.36 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.938 0.399 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 35.9 m -128.99 159.01 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 2.3 mppt? -123.53 164.5 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -93.43 7.11 45.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -106.22 -8.92 17.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t70 52.41 33.99 14.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.33 139.31 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 6.3 p90 -98.02 -45.87 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' HE2' HD22 ' A' ' 115' ' ' LEU . 8.7 t80 -95.33 125.32 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 10.8 t -140.8 118.66 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -147.37 143.83 28.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.9 126.14 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -154.83 173.89 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -104.63 165.78 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mt -131.99 137.19 47.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -139.67 128.2 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -110.47 145.03 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' CB ' ' HB ' ' A' ' 101' ' ' THR . 41.3 tttm -86.17 113.63 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -138.29 127.02 23.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.62 40.24 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 58.65 44.12 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -160.31 152.44 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -96.24 126.49 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 135.13 53.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -64.45 120.64 12.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -77.05 -40.61 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.93 135.65 2.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mt -77.96 123.48 34.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.45 -156.24 7.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 m -133.0 132.4 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 50' ' ' LEU . 7.0 tt -86.61 146.31 26.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 80.3 m-70 -142.37 118.54 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 50' ' ' LEU . 18.1 mt -104.28 129.66 52.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 140.04 34.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.886 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.454 ' HD3' ' CD1' ' A' ' 15' ' ' PHE . 54.1 Cg_endo -69.74 134.05 27.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.7 p -89.06 159.51 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.59 -178.02 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 16.0 tm0? -74.51 10.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.92 174.37 10.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 122' ' ' LYS . 18.8 m -131.26 130.02 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 33.3 tt0 -101.52 152.87 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 38' ' ' LEU . 1.4 tm? -122.05 125.02 45.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.3 tp -136.87 132.21 34.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.17 123.65 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -92.68 145.08 24.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.31 136.91 32.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -90.47 -51.88 5.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 57' ' ' ASN . 9.6 t -55.14 -41.98 72.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 56' ' ' THR . 5.8 t-20 -81.22 159.15 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.32 -45.47 72.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.37 42.98 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.17 130.5 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -59.84 146.44 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -98.01 -46.99 5.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.5 tp -154.86 116.56 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -126.49 101.98 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.933 HG11 ' O ' ' A' ' 86' ' ' VAL . 31.1 m -140.36 162.6 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 tp -101.57 142.41 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.43 109.99 1.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 169.95 17.64 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -14.34 35.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -148.26 119.52 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.413 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 1.2 tmt? -141.19 102.04 6.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 71' ' ' MET . 54.0 Cg_endo -69.75 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 116' ' ' HIS . 27.8 p -102.83 135.06 45.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -143.19 102.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CD ' HG23 ' A' ' 81' ' ' VAL . 3.7 mmm180 -86.5 122.05 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 76' ' ' THR . 5.3 t -128.44 121.08 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.95 -150.06 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -117.94 -37.98 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -117.43 18.05 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HB3' HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -130.19 136.99 49.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 116' ' ' HIS . 7.8 p -140.23 123.72 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -88.62 139.87 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.7 pt -148.33 134.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.4 t -95.03 119.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.11 163.35 39.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.933 ' O ' HG11 ' A' ' 65' ' ' VAL . 98.1 t -84.0 118.53 71.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.0 Cg_endo -69.74 122.73 9.41 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.605 ' HB2' HG12 ' A' ' 65' ' ' VAL . 3.2 t-20 -125.84 115.41 24.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.75 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 54.1 Cg_endo -69.78 160.41 88.14 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.33 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 120.98 7.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.7 mt -54.13 -45.55 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -118.91 151.46 38.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.71 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 11.0 pt-20 -86.81 -43.29 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -49.05 -43.39 40.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -113.81 13.84 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.71 ' HB2' ' HA ' ' A' ' 93' ' ' GLU . . . -40.76 -61.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 p -54.71 -43.4 72.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.1 ttt -72.89 139.47 80.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.546 0.689 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.61 33.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.421 HG22 ' HD3' ' A' ' 87' ' ' PRO . 11.2 m -129.84 160.78 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 25' ' ' LYS . 62.6 m -69.91 135.01 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.48 147.14 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 80' ' ' ASN . 7.6 tt -129.62 141.74 50.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' ILE . 15.3 mt -118.6 106.97 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' CD2' ' A' ' 103' ' ' LEU . 32.0 mtm180 -100.08 109.57 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 107' ' ' LYS . 9.2 p -95.23 168.87 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.585 ' H ' HG22 ' A' ' 106' ' ' VAL . 24.5 mttp -57.83 -60.02 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.1 p -115.07 143.93 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 5.6 t -49.14 -56.16 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -38.79 -39.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.504 ' HB3' HG21 ' A' ' 106' ' ' VAL . 15.4 m-20 -67.12 -39.73 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.525 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -55.08 -61.55 2.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -43.79 -41.98 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.02 -44.39 74.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' A' ' 115' ' ' LEU . 0.3 OUTLIER -60.83 -59.85 4.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.724 ' HE1' HD11 ' A' ' 120' ' ' LEU . 6.7 t-80 -54.87 -40.86 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -55.93 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' LEU . 97.6 mt -48.91 -56.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ILE . 14.0 mt -35.85 -55.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 123' ' ' LYS . 79.1 mt -49.01 -45.56 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 2.7 mm-40 -70.34 -37.88 74.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.673 ' HB3' HG21 ' A' ' 48' ' ' THR . 28.9 mmtm -76.51 6.69 5.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.824 ' CE ' HD23 ' A' ' 120' ' ' LEU . 5.6 pttt -135.48 115.26 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 t70 65.1 34.06 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.7 m -67.23 120.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -108.64 17.45 21.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.16 14.58 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.75 135.99 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.7 -46.8 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.869 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . -88.67 126.21 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -62.18 -45.34 93.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 40' ' ' LEU . 42.4 t80 -87.48 121.43 29.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.4 p -140.83 106.9 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -144.68 137.96 26.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -76.75 140.94 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.9 p -163.78 177.89 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -117.45 126.32 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.89 143.51 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -145.15 132.97 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 36.1 p90 -120.24 146.71 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -93.73 115.48 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 3.5 ptmt -140.98 140.76 34.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.01 36.08 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.91 47.99 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -162.17 156.17 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -97.76 113.42 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.8 mmmp? -109.3 152.58 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -86.38 122.64 30.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -78.95 -45.44 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.63 118.78 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mt -74.14 126.76 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 111.17 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.42 -134.72 1.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.4 m -131.79 131.45 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.831 0.348 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 39' ' ' HIS . 1.9 tm? -82.48 138.06 34.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.931 ' N ' HD13 ' A' ' 38' ' ' LEU . 42.9 m-70 -134.63 161.94 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.869 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 76.9 mt -146.9 107.57 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -127.53 143.21 46.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.65 38.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -98.68 169.88 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.97 -46.91 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.27 177.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.96 15.9 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -111.62 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 66' ' ' LEU . 93.0 m -107.49 140.27 40.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' ' N ' ' A' ' 50' ' ' LEU . 28.6 tt0 -105.14 149.83 25.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD21 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -116.07 123.85 48.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.489 HD13 ' ND2' ' A' ' 64' ' ' ASN . 10.7 tp -138.15 119.71 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.62 HG22 HD22 ' A' ' 38' ' ' LEU . 6.3 t -100.22 124.86 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -93.4 143.23 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 177.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -95.63 -43.53 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -54.01 147.91 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 58' ' ' LEU . 3.4 m120 -46.08 -59.15 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 57' ' ' ASN . 19.4 tp -33.83 -65.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.41 138.13 7.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -158.9 156.63 29.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.11 113.21 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 62' ' ' LEU . 18.1 mt -89.63 -54.16 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -145.07 114.08 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.489 ' ND2' HD13 ' A' ' 51' ' ' LEU . 43.0 t-20 -118.22 110.32 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.52 158.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 48' ' ' THR . 52.6 tp -103.7 140.72 37.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 122' ' ' LYS . 90.8 mt -68.57 111.63 8.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -28.04 25.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -133.62 116.06 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 ttp -139.87 128.97 13.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 145.89 58.13 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.453 ' HB2' ' HE2' ' A' ' 116' ' ' HIS . 25.0 p -127.94 124.26 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.65 110.13 11.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HD3' HG22 ' A' ' 81' ' ' VAL . 3.1 mmm180 -89.33 118.65 29.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 80' ' ' ASN . 11.8 t -120.14 159.9 23.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.59 -150.18 35.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -97.91 -55.06 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.74 0.305 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -116.56 17.77 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HB2' HG23 ' A' ' 76' ' ' THR . 43.4 m-20 -96.17 133.04 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 75' ' ' ARG . 91.6 t -123.98 123.32 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 ' CG2' ' A' ' 101' ' ' THR . 1.4 tt -105.52 136.59 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.539 ' N ' HD23 ' A' ' 82' ' ' LEU . 36.6 pt -140.36 164.64 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 99' ' ' PRO . 11.1 t -129.14 120.12 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.9 p -155.56 158.12 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.12 110.98 18.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.645 0.736 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.521 ' HD3' HG12 ' A' ' 100' ' ' VAL . 53.6 Cg_endo -69.72 139.45 40.4 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -129.17 113.44 18.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 170.48 58.35 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.343 -0.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 61.2 mt -62.52 -38.1 80.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -113.47 156.85 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -99.27 -37.2 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.63 -46.66 81.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.8 17.9 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.85 -62.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.5 m -45.57 -46.43 14.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.96 162.27 65.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.473 ' HB2' HG12 ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.77 174.99 8.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.521 HG12 ' HD3' ' A' ' 87' ' ' PRO . 1.4 p -122.41 149.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.633 ' CG2' HD21 ' A' ' 82' ' ' LEU . 19.3 m -85.71 109.67 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.419 ' HG3' HG13 ' A' ' 100' ' ' VAL . 9.4 mtp -114.52 155.83 25.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 tt -142.32 129.78 21.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.8 mt -101.0 137.61 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -118.8 120.3 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.489 HG11 ' OD2' ' A' ' 111' ' ' ASP . 27.5 m -109.55 174.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -82.44 -53.99 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.42 HG23 ' HG2' ' A' ' 110' ' ' GLU . 7.0 t -105.69 146.9 29.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' GLU . 11.3 m -58.8 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' SER . 5.3 pt-20 -35.4 -39.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.489 ' OD2' HG11 ' A' ' 106' ' ' VAL . 27.7 t0 -57.15 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 81' ' ' VAL . . . -52.22 -61.3 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 117' ' ' LYS . 25.8 t70 -38.21 -58.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' HG3' ' CD1' ' A' ' 118' ' ' ILE . 8.4 tp10 -59.81 -53.31 59.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.8 tp -46.75 -45.0 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.795 ' CE1' HD11 ' A' ' 120' ' ' LEU . 42.4 t-80 -66.17 -47.36 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 113' ' ' ASP . 19.6 mttp -59.8 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 114' ' ' GLU . 89.7 mt -38.84 -64.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.1 mt -39.64 -57.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.795 HD11 ' CE1' ' A' ' 116' ' ' HIS . 39.9 mt -52.12 -36.03 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 118' ' ' ILE . 45.0 mt-10 -72.32 -55.34 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 67' ' ' ILE . 3.0 mtmp? -48.54 -36.98 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 4.6 pttp -81.74 -32.07 31.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 10.6 t70 -52.65 -49.57 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.043 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 22.3 m -87.68 137.36 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -126.4 116.35 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.23 14.78 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -128.49 122.8 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.22 -45.39 4.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' A' ' 40' ' ' LEU . . . -100.49 112.11 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CZ ' ' NZ ' ' A' ' 122' ' ' LYS . 29.5 p90 -61.85 -39.22 91.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -93.48 133.92 36.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.9 p -140.13 106.27 5.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.673 ' HD3' HG23 ' A' ' 106' ' ' VAL . 4.5 tmmm? -133.23 127.94 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 2.9 mppt? -87.19 126.95 35.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 p -161.78 177.54 9.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -111.51 165.82 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 11.4 mt -120.37 140.29 51.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' CZ ' ' OE1' ' A' ' 32' ' ' GLU . 94.2 m-85 -137.57 134.35 35.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -117.77 149.34 40.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 29.3 tptt -91.92 113.64 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 26.8 tttp -142.23 146.05 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 50.05 40.0 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m120 56.87 47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.51 152.05 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 22.2 m-85 -92.84 118.36 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -116.43 150.71 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 26.5 tp10 -80.93 130.25 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -83.17 -43.76 15.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.83 130.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.31 139.25 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.64 -148.39 6.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 m -133.38 145.54 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.811 0.338 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -93.73 136.59 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.659 ' N ' HD22 ' A' ' 38' ' ' LEU . 66.6 m-70 -133.73 149.2 51.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' H ' ' HB1' ' A' ' 14' ' ' ALA . 70.2 mt -129.73 115.46 17.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.18 121.59 38.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.17 68.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.629 2.22 . . . . 0.0 112.351 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.2 p -112.75 178.53 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.82 -26.47 61.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -81.4 17.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 56.89 35.18 25.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -110.93 178.34 4.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.701 ' HB ' HD12 ' A' ' 67' ' ' ILE . 46.6 m -130.38 122.92 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -99.04 131.14 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 51' ' ' LEU . 1.1 tm? -86.73 115.73 24.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' N ' HD13 ' A' ' 50' ' ' LEU . 15.5 tp -132.44 136.56 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 38' ' ' LEU . 96.7 t -126.08 117.01 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -85.58 155.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.626 ' HB3' ' HB3' ' A' ' 60' ' ' ASN . . . -97.32 155.41 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -68.01 -32.97 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.1 t -55.51 172.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.03 170.25 16.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 59' ' ' GLY . 10.7 tp 62.64 32.14 16.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . 28.96 59.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.626 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.8 t30 -55.96 137.44 50.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.9 mt -86.31 129.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 70.4 mt -105.58 -37.95 6.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.6 tp -154.35 116.48 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -128.4 104.96 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 86' ' ' VAL . 29.1 m -154.92 148.17 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.86 147.12 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.701 HD12 ' HB ' ' A' ' 48' ' ' THR . 69.2 mt -65.88 112.43 8.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 111.138 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.88 17.93 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.295 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.92 5.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -122.51 123.48 41.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttp -154.84 122.36 2.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 26.1 p -112.67 132.76 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -139.3 103.44 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' ' CD2' ' A' ' 116' ' ' HIS . 2.2 mmm180 -80.87 112.05 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.695 HG23 ' HB2' ' A' ' 80' ' ' ASN . 10.9 t -108.15 152.39 24.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 55.52 -151.81 17.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -110.12 -35.44 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -117.94 18.07 14.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.695 ' HB2' HG23 ' A' ' 76' ' ' THR . 4.2 m-80 -113.09 144.06 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.649 HG21 HD23 ' A' ' 115' ' ' LEU . 59.0 t -137.46 111.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.739 HD13 HD23 ' A' ' 103' ' ' LEU . 10.4 tp -94.13 128.34 40.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.8 pt -144.66 138.21 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 49.1 t -95.67 113.42 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.74 153.19 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.464 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.1 t -75.69 118.37 70.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 111.132 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 126.31 13.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 2.8 m-80 -125.93 116.37 24.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.79 164.18 80.0 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.351 -0.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.28 20.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.31 -43.57 78.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.91 147.33 27.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.76 -42.53 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -39.56 -42.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -153.51 102.06 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.71 -42.47 8.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -45.06 -34.52 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 17.0 ttt -83.19 130.26 57.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.87 44.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.3 m -122.66 158.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 82' ' ' LEU . 89.5 m -71.78 135.58 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.513 ' O ' HD12 ' A' ' 82' ' ' LEU . 5.1 mmt -132.89 137.06 46.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.739 HD23 HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -114.61 127.46 55.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 103' ' ' LEU . 21.5 mt -111.59 114.43 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HG3' HD12 ' A' ' 103' ' ' LEU . 61.1 mtt180 -108.08 113.93 27.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.673 HG23 ' HD3' ' A' ' 18' ' ' LYS . 9.9 p -92.95 162.92 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 106' ' ' VAL . 9.2 ttmm -60.45 -48.88 79.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 127.95 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -46.22 -52.44 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 111' ' ' ASP . 8.2 pt-20 -39.71 -38.37 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.608 ' HB3' HG21 ' A' ' 106' ' ' VAL . 7.4 t0 -63.68 -50.96 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.69 -53.61 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -42.13 -58.54 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -53.75 -50.82 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD23 HG21 ' A' ' 81' ' ' VAL . 7.6 tp -51.02 -46.24 61.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 18.1 t-80 -66.42 -49.86 65.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -54.93 -57.54 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 119' ' ' LEU . 83.5 mt -53.47 -65.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 118' ' ' ILE . 16.0 mt -32.92 -41.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.14 -60.24 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -39.4 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.688 ' HD3' HG21 ' A' ' 48' ' ' THR . 9.4 mmpt? -53.42 -43.69 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.481 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 45.4 mttp -44.27 -51.77 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -78.71 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.3 m 37.71 32.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' GLU . 45.2 mttt -86.31 17.94 3.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.75 15.22 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -124.64 172.77 8.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -71.76 -43.41 65.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.07 121.48 15.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 35.5 p90 -71.63 -46.99 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' HE2' HD13 ' A' ' 115' ' ' LEU . 49.7 t80 -97.03 105.78 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -121.15 118.29 29.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.74 127.57 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.91 135.92 53.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -162.82 169.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 104' ' ' ILE . 4.6 mtmp? -109.09 160.47 16.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -120.47 134.38 55.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.89 148.96 51.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 5.6 p90 -130.66 153.95 48.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -92.21 114.78 27.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 33.0 mtmt -142.27 126.75 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 60.14 38.34 20.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 61.47 42.76 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -157.98 149.3 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -102.02 116.02 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 22.9 mmtm -105.51 157.59 17.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -89.58 113.67 25.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -66.11 -42.65 88.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.71 140.22 2.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 21' ' ' LYS . 43.0 mt -77.85 128.49 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.61 -153.79 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -130.95 141.96 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.776 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -93.97 134.43 36.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' N ' HD13 ' A' ' 38' ' ' LEU . 96.1 m-70 -134.84 113.33 11.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 18.2 mt -95.8 114.45 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HE2' HD23 ' A' ' 51' ' ' LEU . 2.7 mtmp? -115.02 134.45 22.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.22 17.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.453 HG22 ' HB2' ' A' ' 49' ' ' GLN . 17.6 p -87.27 157.1 19.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.01 -34.01 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' THR . 24.5 m120 -92.91 -178.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.05 12.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.654 ' HB3' HD11 ' A' ' 66' ' ' LEU . 7.9 mmpt? -88.45 178.5 6.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.6 m -129.73 128.92 43.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' THR . 50.4 tt0 -90.54 140.91 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -114.76 110.68 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD23 ' HE2' ' A' ' 41' ' ' LYS . 25.1 tp -129.66 136.18 49.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 HD23 ' A' ' 38' ' ' LEU . 95.7 t -131.71 115.59 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -86.36 143.99 27.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.75 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -88.56 151.64 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -84.81 102.25 12.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.0 p -153.19 171.62 18.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -51.53 -48.5 62.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.11 -66.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.52 108.49 1.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -110.58 166.52 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.748 0.309 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -90.6 124.53 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.75 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 50.2 mt -87.58 -51.76 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.53 125.13 9.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -130.08 107.11 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 86' ' ' VAL . 35.1 m -150.59 165.34 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 48' ' ' THR . 33.2 tp -96.27 139.73 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.623 HD12 ' HB ' ' A' ' 48' ' ' THR . 47.5 mt -73.43 118.17 66.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 170.15 17.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.329 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 123' ' ' LYS . 54.1 Cg_endo -69.78 -37.36 9.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -129.38 114.56 16.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 ttp -133.24 133.58 23.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.557 0.694 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 128.94 16.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 137.78 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.41 138.83 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 tpt85 -101.01 136.81 40.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 t -150.32 167.47 26.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.71 178.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -54.95 -48.25 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.479 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -147.63 102.03 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -150.75 165.47 33.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 115' ' ' LEU . 92.0 t -148.44 101.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 101' ' ' THR . 0.9 OUTLIER -91.25 129.85 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.424 ' N ' HD23 ' A' ' 82' ' ' LEU . 25.5 pt -151.28 145.12 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.69 122.16 58.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.8 p -155.48 161.7 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' HG11 ' A' ' 65' ' ' VAL . 91.2 t -76.65 115.21 45.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' HG22 ' A' ' 100' ' ' VAL . 54.1 Cg_endo -69.75 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 89' ' ' PRO . 47.1 m-20 -124.62 118.32 26.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 54.6 Cg_endo -69.71 166.01 75.02 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.384 -0.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 116.19 4.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.0 mt -57.37 -44.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.95 162.63 12.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.19 -37.41 6.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -40.8 -44.9 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.81 102.89 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.6 -43.09 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.072 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.1 t -52.06 -28.75 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.5 mtp -86.53 132.11 43.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 165.72 30.1 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.433 HG22 ' HD3' ' A' ' 87' ' ' PRO . 14.4 m -127.25 158.59 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HD21 ' A' ' 82' ' ' LEU . 88.2 m -71.9 115.5 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.6 mtp -114.41 150.18 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 104' ' ' ILE . 5.7 tt -144.71 142.67 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.522 ' N ' HD23 ' A' ' 103' ' ' LEU . 23.7 mt -120.01 143.57 31.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -118.76 120.49 37.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 79' ' ' ASN . 31.6 m -100.76 179.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -82.62 -57.19 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -107.65 146.75 31.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.9 p -51.19 -54.73 22.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -43.06 -32.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 106' ' ' VAL . 42.8 t0 -62.07 -52.11 65.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . . . -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.06 -46.36 78.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -57.33 -64.0 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 81' ' ' VAL . 6.1 tp -53.85 -41.12 67.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.4 ' CE1' HD11 ' A' ' 120' ' ' LEU . 6.0 t-80 -54.94 -44.01 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -73.81 -54.46 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 95.2 mt -46.95 -46.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.0 mt -54.45 -42.95 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 116' ' ' HIS . 54.9 mt -65.98 -31.24 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -80.03 -34.72 38.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.52 -48.85 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 27.4 pttt -47.51 -36.24 10.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -84.59 -44.28 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.3 133.44 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -90.25 130.92 36.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -77.97 1.9 19.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.39 169.49 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -86.24 -42.82 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 39' ' ' HIS . . . -70.16 118.69 13.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p90 -79.74 -40.64 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 64.3 t80 -98.45 128.37 44.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.9 p -138.96 118.66 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 136.84 16.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -79.12 142.48 36.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -165.88 168.44 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HD3' ' CD ' ' A' ' 32' ' ' GLU . 1.8 ttmp? -102.92 138.33 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mt -100.47 146.43 27.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE1' ' HG3' ' A' ' 32' ' ' GLU . 82.1 m-85 -146.65 129.18 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -110.29 149.64 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -90.03 112.52 23.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -136.92 131.7 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 57.97 39.04 26.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 t30 61.18 42.81 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -156.58 154.53 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.4 m-85 -96.97 111.05 23.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -104.92 151.96 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 11.7 tt0 -81.0 125.63 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -81.8 -43.09 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.9 136.98 2.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.39 140.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.18 -154.46 12.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.9 m -131.59 139.06 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.849 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -92.8 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.805 ' N ' HD13 ' A' ' 38' ' ' LEU . 92.9 m-70 -133.87 127.47 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 49' ' ' GLN . 12.1 mt -107.4 108.2 19.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.7 132.36 21.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 132.41 23.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 49' ' ' GLN . 5.4 p -86.66 162.67 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -97.69 179.2 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -66.59 -3.21 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.627 ' HB3' HD11 ' A' ' 66' ' ' LEU . 19.7 mttm -68.77 173.88 4.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.751 ' O ' HD12 ' A' ' 66' ' ' LEU . 63.3 m -131.01 128.61 40.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.573 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.1 tt0 -91.27 147.54 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.599 ' CD2' HD21 ' A' ' 38' ' ' LEU . 1.4 tm? -122.9 117.09 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 22.3 tp -135.26 152.84 51.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 92.2 t -137.71 126.96 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -93.21 126.94 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.97 ' HB2' ' HG ' ' A' ' 62' ' ' LEU . . . -81.55 159.46 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -103.09 104.66 14.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.2 p -152.45 175.88 12.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -48.33 -61.44 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.1 tp -93.8 -55.12 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.76 152.26 7.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -156.37 152.25 27.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -78.94 120.2 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.97 ' HG ' ' HB2' ' A' ' 54' ' ' ALA . 21.0 mt -83.16 -55.92 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' CD1' ' H ' ' A' ' 88' ' ' ASN . 42.4 tp -149.1 133.46 17.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -143.61 104.58 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.683 HG11 ' O ' ' A' ' 86' ' ' VAL . 17.8 m -144.73 175.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' THR . 47.0 tp -110.17 133.89 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' A' ' 48' ' ' THR . 96.9 mt -63.87 117.38 35.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.18 24.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -126.84 106.32 9.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -132.23 127.46 20.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.482 ' CG ' ' HB ' ' A' ' 84' ' ' VAL . 53.9 Cg_endo -69.77 127.17 14.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.415 ' HB2' ' NE2' ' A' ' 116' ' ' HIS . 25.9 p -113.09 122.78 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.91 147.3 32.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -117.9 148.16 42.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 t -150.54 166.71 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.07 -176.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.458 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -59.06 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -139.43 101.99 4.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -150.22 169.89 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.0 t -149.09 107.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.765 HD11 HG23 ' A' ' 101' ' ' THR . 4.6 tp -96.68 128.35 43.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.2 pt -150.68 134.77 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.482 ' HB ' ' CG ' ' A' ' 72' ' ' PRO . 97.8 t -96.89 118.34 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.94 162.68 41.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.683 ' O ' HG11 ' A' ' 65' ' ' VAL . 76.3 t -77.68 118.35 71.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 13.9 t-20 -128.79 117.76 19.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.76 167.41 71.12 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.34 -0.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.63 68.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.97 -41.51 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.83 168.19 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -97.19 -33.27 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -82.26 -54.02 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.46 12.93 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.75 -63.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 71.7 p -52.0 -45.44 64.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.412 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 24.4 ttm -69.27 138.47 89.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.523 0.678 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 98' ' ' MET . 53.9 Cg_endo -69.71 162.93 40.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.245 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.61 160.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.765 HG23 HD11 ' A' ' 82' ' ' LEU . 99.6 m -75.81 131.86 40.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 mtp -126.18 124.06 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -113.34 118.45 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.57 129.02 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -106.35 122.94 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 79' ' ' ASN . 29.5 m -110.4 178.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -78.36 -68.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.85 155.2 18.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ASP . 32.6 t -63.32 -49.37 74.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -24.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 34.3 t0 -75.87 -49.98 16.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.46 63.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 75' ' ' ARG . 30.3 t70 -64.42 -54.5 31.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -51.52 -66.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.4 tp -47.28 -62.3 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 73' ' ' CYS . 3.7 t-80 -47.01 -46.7 22.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -60.77 -40.23 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -50.59 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.5 -36.63 84.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 120' ' ' LEU . 1.9 tp -70.48 -49.68 45.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.96 -50.87 53.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -48.3 -47.3 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 2.6 pttp -67.51 -29.78 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 26.4 t0 -63.38 -56.29 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.59 136.04 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.0 153.93 30.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 67.99 44.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -116.55 163.33 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -60.82 -48.0 83.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.2 140.46 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 16' ' ' TYR . 14.7 p90 -85.42 -44.39 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.519 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 90.4 t80 -98.72 123.03 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -138.98 110.62 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -140.99 137.34 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -76.64 138.35 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.3 p -168.07 177.89 5.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' PHE . 1.1 ttmp? -124.69 134.24 52.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.771 HD23 HD11 ' A' ' 104' ' ' ILE . 10.3 mt -83.46 160.34 21.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 21' ' ' LYS . 78.4 m-85 -154.04 130.1 10.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 31' ' ' LYS . 22.2 p90 -124.0 147.92 47.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -85.5 115.87 23.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -139.01 120.26 14.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 63.9 39.4 8.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.5 m120 61.93 37.27 15.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -150.1 152.71 35.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -93.26 112.86 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 9.4 mmmt -113.92 111.46 21.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 4.1 pt-20 -61.14 116.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -53.1 -33.66 53.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.85 166.96 14.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 55' ' ' ASP . 50.8 mt -86.16 138.02 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.83 -165.74 33.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -126.45 141.07 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.798 HD13 ' N ' ' A' ' 39' ' ' HIS . 2.5 tm? -90.36 137.83 32.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.798 ' N ' HD13 ' A' ' 38' ' ' LEU . 31.6 m-70 -140.03 129.23 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 50' ' ' LEU . 57.3 mt -113.09 133.03 55.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' NZ ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -143.51 143.12 22.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 0.0 110.937 179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.07 68.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 p -108.7 172.0 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.61 71.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -80.58 14.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 62.21 34.78 15.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.5 mmtt -112.37 175.39 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' HD12 ' A' ' 66' ' ' LEU . 25.7 m -113.25 107.84 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.68 145.76 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.517 ' HA ' HD23 ' A' ' 40' ' ' LEU . 8.0 tt -103.32 143.14 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD22 ' NZ ' ' A' ' 41' ' ' LYS . 6.1 tp -146.72 134.72 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG22 HD23 ' A' ' 38' ' ' LEU . 79.2 t -128.6 116.46 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -95.43 146.39 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.642 ' HB3' ' HA2' ' A' ' 59' ' ' GLY . . . -71.39 150.93 44.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.541 ' HB2' HG22 ' A' ' 35' ' ' ILE . 26.1 t0 -75.16 -45.15 42.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -61.34 167.99 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 58' ' ' LEU . 2.0 p30 -44.29 -57.68 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 57' ' ' ASN . 30.7 mt -34.09 -44.8 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.642 ' HA2' ' HB3' ' A' ' 54' ' ' ALA . . . 44.64 42.56 7.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -80.89 152.97 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.17 121.26 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -85.77 -43.52 13.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.49 HD12 ' H ' ' A' ' 88' ' ' ASN . 23.4 tp -154.07 117.91 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -128.84 112.09 13.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 86' ' ' VAL . 27.0 m -152.56 166.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 48' ' ' THR . 30.0 tp -100.72 151.92 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 81.7 mt -81.62 112.67 36.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.3 Cg_endo -69.76 169.47 18.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.337 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -32.51 18.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -123.62 106.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.4 ttp -133.54 118.54 14.74 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 135.1 29.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 116' ' ' HIS . 29.7 p -115.67 137.23 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.3 p -140.41 102.61 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -76.34 114.66 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 154.78 32.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.48 -160.62 17.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.43 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -96.31 -46.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 109' ' ' SER . 51.8 p-10 -117.8 17.96 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.828 ' HB3' HD21 ' A' ' 103' ' ' LEU . 67.2 m-80 -101.99 148.2 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.6 t -136.09 108.95 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 101' ' ' THR . 9.0 mt -91.48 129.34 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.2 pt -141.6 153.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.61 115.56 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -155.36 153.37 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.485 ' O ' HG11 ' A' ' 65' ' ' VAL . 90.8 t -71.76 120.33 79.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.54 17.77 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.49 ' H ' HD12 ' A' ' 63' ' ' LEU . 2.5 m-80 -131.57 116.01 16.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.78 75.83 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.345 -0.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 149.38 66.43 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.4 mt -97.57 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.09 141.99 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.53 -37.98 10.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 95' ' ' ASN . 0.0 OUTLIER -66.13 -27.47 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 25.2 m-80 -154.5 102.08 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.76 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.5 m -49.74 -40.34 40.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.1 mmm -76.76 136.58 66.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.82 55.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.99 160.41 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.452 ' CG2' HD22 ' A' ' 82' ' ' LEU . 56.8 m -69.14 133.11 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.2 mtp -132.34 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 80' ' ' ASN . 3.6 tt -132.0 150.05 52.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.771 HD11 HD23 ' A' ' 22' ' ' LEU . 18.9 mm -131.87 126.31 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -115.75 101.99 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.606 HG11 ' N ' ' A' ' 112' ' ' ALA . 10.4 p -82.92 164.11 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.536 ' N ' HG22 ' A' ' 106' ' ' VAL . 8.2 tmtt? -44.49 -68.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.529 HG23 ' CG ' ' A' ' 110' ' ' GLU . 8.8 t -114.24 134.25 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 79' ' ' ASN . 87.7 p -41.0 -54.45 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' CG ' HG23 ' A' ' 108' ' ' THR . 8.6 pt-20 -38.03 -38.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.506 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 14.0 m-20 -69.22 -43.71 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.606 ' N ' HG11 ' A' ' 106' ' ' VAL . . . -47.76 -52.22 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -46.9 -49.23 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -62.12 -44.67 96.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.17 -61.97 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.615 ' CE1' HD21 ' A' ' 120' ' ' LEU . 9.1 t-80 -55.28 -50.71 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -40.73 -58.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.54 -66.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.68 ' H ' HD12 ' A' ' 119' ' ' LEU . 7.1 mp -40.95 -56.27 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 116' ' ' HIS . 4.1 mm? -47.62 -37.91 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -76.74 -52.65 9.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -50.76 -48.32 59.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 124' ' ' ASP . 9.6 pttp -61.1 -44.07 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 83.6 m-20 -48.68 -48.16 40.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG22 ' CG ' ' A' ' 10' ' ' LYS . 9.4 p -89.48 151.41 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' CG ' HG22 ' A' ' 9' ' ' VAL . 17.7 mttt 52.0 48.03 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -66.86 155.46 38.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.03 134.73 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -52.01 -50.43 61.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.58 141.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 40' ' ' LEU . 32.3 p90 -81.42 -42.01 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -108.57 108.23 19.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -130.54 110.43 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -145.08 140.29 27.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HA ' HG23 ' A' ' 37' ' ' THR . 15.7 ptpt -70.78 139.61 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -166.25 166.34 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 35' ' ' ILE . 41.7 mttt -98.23 168.82 10.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 52' ' ' VAL . 11.6 mt -137.01 131.31 32.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 50.2 m-85 -132.53 144.8 50.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 31' ' ' LYS . 46.4 p90 -126.74 147.82 49.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -86.56 115.12 23.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -137.79 125.31 22.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 54.91 39.54 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 62.82 45.46 5.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -155.38 155.08 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -105.21 111.54 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 11.6 mmmm -108.04 124.82 50.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 23' ' ' PHE . 36.6 tt0 -60.85 106.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -53.32 -47.63 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.37 135.54 1.91 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 21' ' ' LYS . 13.7 mm -64.99 143.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.78 -160.54 29.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 19' ' ' LYS . 7.8 m -129.11 144.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.169 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.843 ' C ' HD13 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -100.75 137.91 38.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.632 ' N ' HD13 ' A' ' 38' ' ' LEU . 17.0 m-70 -134.38 121.22 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' HG ' HD11 ' A' ' 38' ' ' LEU . 25.4 mt -96.94 117.74 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -144.42 142.29 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.45 63.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 45' ' ' ASN . 12.9 t -112.01 159.87 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' H ' HG23 ' A' ' 43' ' ' THR . 12.8 m120 -82.24 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER 49.56 32.02 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -125.97 163.93 21.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.7 m -80.96 113.09 18.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' A' ' 66' ' ' LEU . 27.6 tt0 -101.22 121.27 41.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 38' ' ' LEU . 6.3 tp -85.76 134.86 33.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.1 tp -142.58 120.51 12.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 22' ' ' LEU . 87.3 t -114.98 115.53 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' NH1' ' HA3' ' A' ' 59' ' ' GLY . 40.2 ttm-85 -99.31 131.77 45.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.68 142.82 57.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -96.31 -60.53 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 57' ' ' ASN . 9.5 t -55.52 -41.71 73.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' N ' HG23 ' A' ' 56' ' ' THR . 3.8 t-20 -92.21 172.62 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.36 156.24 36.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -46.66 105.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 19.5 p30 -139.48 175.4 9.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -100.93 116.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 62' ' ' LEU . 12.6 mt -91.98 -50.56 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -153.59 112.59 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -121.74 111.96 17.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 88' ' ' ASN . 31.2 m -151.63 171.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 49' ' ' GLN . 15.5 mt -112.63 145.62 40.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.3 mt -81.3 111.43 24.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.252 . . . . 0.0 112.33 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.46 32.01 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -126.53 102.99 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 ttp -145.87 121.01 5.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.12 34.53 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.71 2.274 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 55.8 m -117.25 134.15 55.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.8 104.6 6.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.422 ' CD ' HG22 ' A' ' 81' ' ' VAL . 2.4 mmm180 -85.58 114.96 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.714 HG23 ' HB2' ' A' ' 80' ' ' ASN . 2.3 t -107.18 155.17 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 51.05 -146.73 9.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -114.69 -31.84 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.913 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -117.98 14.82 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' A' ' 76' ' ' THR . 51.5 m-20 -112.42 148.13 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG22 ' CD ' ' A' ' 75' ' ' ARG . 46.8 t -138.78 118.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 83' ' ' ILE . 10.4 tp -103.51 139.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' LEU . 20.2 pt -155.63 151.0 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.62 120.48 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 p -155.55 156.75 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.39 116.28 57.95 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 100' ' ' VAL . 53.9 Cg_endo -69.81 130.83 19.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.407 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . 5.8 m-20 -123.11 116.04 28.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.81 78.35 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.346 -0.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.88 46.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.47 HG22 ' OD1' ' A' ' 92' ' ' ASP . 36.0 mm -53.84 -45.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' OD1' HG22 ' A' ' 91' ' ' ILE . 8.8 m-20 -142.83 166.48 24.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 55.2 mm-40 -76.04 -40.58 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -60.73 -52.02 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -93.78 13.1 23.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -51.35 -53.18 38.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 78.6 p -63.18 -42.28 99.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 28.5 mtp -76.59 134.38 69.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.64 14.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.437 HG22 ' HD3' ' A' ' 87' ' ' PRO . 9.3 m -130.45 157.75 42.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.3 m -71.82 114.88 10.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.3 mmt -115.44 130.87 57.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 104' ' ' ILE . 2.9 tt -115.78 146.74 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.673 ' N ' HD23 ' A' ' 103' ' ' LEU . 4.7 mp -120.99 122.92 68.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -110.37 109.14 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.27 177.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.11 -50.03 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.0 p -113.5 132.15 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -48.16 -52.44 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -39.94 -38.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -60.71 -57.88 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -41.28 -42.26 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.13 -48.5 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' LYS . 6.2 tp10 -62.85 -61.18 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 27.5 tp -37.65 -48.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.89 ' O ' HD23 ' A' ' 120' ' ' LEU . 11.0 t-80 -57.53 -43.54 84.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' GLU . 32.9 mmtt -52.17 -61.03 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.6 mp -54.81 -60.17 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -39.29 -42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 116' ' ' HIS . 4.4 mm? -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 40.6 mt-10 -77.94 -30.5 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -78.83 11.79 2.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 123' ' ' LYS . 2.8 pttp -137.65 113.37 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t0 62.06 34.44 16.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 121' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 stop_ save_