data_1zue_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 1zue _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 ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.09 141.64 30.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 t -63.1 -27.05 69.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.48 -14.3 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -67.47 -34.39 77.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.38 -76.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 171.09 75.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.13 -171.23 12.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.6 t -140.31 161.47 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.737 0.303 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -112.63 103.12 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.77 170.09 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.97 137.37 55.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -15.02 62.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.401 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.16 21.25 12.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.664 0.269 . . . . 0.0 111.449 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 155.06 24.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.536 0.684 . . . . 0.0 110.732 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -14.69 16.05 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.399 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.26 64.6 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.04 123.61 26.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -97.88 95.78 2.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.435 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.3 129.88 28.41 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.481 2.121 . . . . 0.0 112.524 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.4 mtp -110.22 147.96 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.89 -169.45 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.1 35.76 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.496 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -177.98 146.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -138.52 171.34 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 t -99.97 163.35 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -79.84 -26.94 40.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.41 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -89.86 149.64 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 14.97 11.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -139.31 16.14 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.21 143.12 48.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 148.17 27.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.08 101.04 13.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.68 165.58 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.005 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -51.93 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.772 0.32 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.38 134.14 37.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 t -57.52 -21.81 40.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -18.49 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -40.02 96.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.739 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 t 168.29 88.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.02 -166.1 10.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 t -140.17 159.19 25.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.889 0.376 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -114.75 103.88 11.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.48 162.14 15.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 134.04 51.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.439 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -16.95 50.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.383 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.26 17.85 9.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.665 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.78 19.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.455 0.645 . . . . 0.0 110.714 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.82 14.89 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -112.84 71.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -146.6 143.95 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -111.68 88.77 9.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.48 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.55 130.26 17.9 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.732 2.288 . . . . 0.0 112.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttm -118.72 108.67 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 30' ' ' THR . . . -62.89 -173.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.2 m95 50.22 34.74 9.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.62 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 28' ' ' ALA . 13.9 t -174.04 148.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.183 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.04 161.19 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.04 159.46 15.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.039 0.447 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -58.8 -27.51 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.495 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -89.84 134.83 33.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -80.52 0.97 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.549 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -118.87 -15.31 9.39 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.84 148.51 24.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.03 155.64 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -99.88 104.55 16.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.095 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.67 165.47 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -61.58 -66.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.924 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.9 148.03 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -66.22 -30.01 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.54 28.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -25.87 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 10.26 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.493 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.1 t 56.82 72.5 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 -164.42 9.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.32 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 t -140.32 159.41 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -112.53 103.92 12.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.88 166.21 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.74 133.65 48.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.28 -21.61 24.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.39 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.13 21.87 5.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.387 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -88.11 132.29 34.37 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 121.225 0.536 . . . . 0.0 110.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -10.23 55.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.926 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.75 68.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.62 142.2 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -107.35 96.21 15.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.64 119.25 2.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.769 2.313 . . . . 0.0 112.787 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 115.9 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.675 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.08 -177.25 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.248 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.0 m95 40.85 52.0 3.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.705 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -176.22 144.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -127.39 159.51 34.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.585 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.77 174.34 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.993 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.94 -40.85 53.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 152.67 21.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.24 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -137.91 13.84 2.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -127.48 148.09 50.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.731 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 148.42 26.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 103.32 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.252 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.9 m -99.61 163.6 12.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.135 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.89 -51.03 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.691 0.282 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.48 139.13 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.1 -29.93 65.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -40.15 13.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -58.03 -28.31 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.95 14.18 31.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 p 53.13 71.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.862 0.363 . . . . 0.0 111.225 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.14 -164.67 11.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.351 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 t -140.37 168.28 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -131.32 115.41 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.139 0.495 . . . . 0.0 110.779 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.52 175.46 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.894 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.29 152.3 29.57 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.149 0.499 . . . . 0.0 110.692 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 6.56 23.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.477 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.46 16.47 12.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.234 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 154.58 21.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.431 0.634 . . . . 0.0 110.804 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -14.13 15.32 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.563 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -111.78 71.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.044 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.07 145.23 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 90.42 10.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.689 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.66 130.6 15.28 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.668 2.245 . . . . 0.0 112.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.8 mmm -118.36 104.18 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -167.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.59 48.7 11.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.475 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.1 t -178.98 150.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -127.96 152.63 47.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.95 -170.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -99.97 -29.95 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.94 140.0 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 16.64 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.531 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.0 16.37 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 151.08 52.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.691 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.93 149.77 23.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.816 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.52 106.78 19.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.97 167.8 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.28 -70.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.317 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.46 145.42 24.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -73.68 -27.17 61.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -30.52 18.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -55.27 -31.69 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -111.15 13.0 21.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.434 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.22 82.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.77 -152.26 7.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -139.96 162.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.618 0.247 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -132.27 113.09 12.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.25 136.4 53.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -14.47 60.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.567 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 15.55 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.13 155.31 19.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.516 0.674 . . . . 0.0 110.769 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.98 -13.24 14.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.535 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -114.33 71.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.921 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.48 145.48 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.09 90.81 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.28 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.97 116.59 3.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.75 2.3 . . . . 0.0 112.653 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ttt -107.87 116.82 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.35 -175.54 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.275 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.8 m95 44.34 46.35 7.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -179.05 142.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.202 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -140.24 169.43 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.7 -178.52 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -27.38 56.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.84 146.72 24.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 19.04 5.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.47 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.09 16.84 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.82 142.63 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 148.15 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.777 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -94.2 106.59 18.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.054 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 m -99.61 164.15 12.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.173 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -73.23 -66.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.955 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.08 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.0 t -52.07 -27.57 14.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -31.41 19.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.89 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.003 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 9.03 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 57.14 81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.1 -164.04 10.72 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.261 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.27 129.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 10.7 m -97.87 101.35 12.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.445 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.93 158.94 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.188 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.24 138.95 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -60.18 -18.88 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.426 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.36 16.65 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.614 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 156.89 17.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.508 0.67 . . . . 0.0 110.668 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.79 -10.35 20.85 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.276 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -119.63 68.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -150.16 102.89 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 6.5 mttp -94.44 95.92 1.63 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 19.1 Cg_endo -58.23 129.97 35.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.508 2.139 . . . . 0.0 112.552 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.05 167.17 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.624 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.05 175.66 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 111.116 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.7 m95 41.29 54.08 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.827 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -177.94 144.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -140.23 179.94 6.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.46 177.12 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -81.78 -37.49 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -91.6 145.93 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 21.17 3.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.497 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.43 -21.51 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -99.87 155.6 17.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.791 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -114.99 141.65 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -92.58 101.49 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -105.41 164.78 11.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.824 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -48.19 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.53 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.22 -23.55 36.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -32.62 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.565 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -30.5 67.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -108.56 -2.65 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.39 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 m 64.13 87.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.21 -148.46 5.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.2 t -140.02 160.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.715 0.293 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.2 m -124.23 107.78 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 173.06 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.05 132.07 44.57 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -16.23 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.08 14.38 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.554 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.78 155.13 19.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.514 0.673 . . . . 0.0 110.737 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -13.98 15.34 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.36 70.26 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.08 136.78 24.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -98.96 91.94 1.49 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.427 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 120.26 7.96 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.535 2.157 . . . . 0.0 112.492 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -100.95 124.72 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.647 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.99 -170.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.2 m95 45.14 33.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.563 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -177.43 146.67 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -140.08 175.89 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 t -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.811 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.46 -27.83 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.84 149.77 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.963 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -86.96 14.15 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.66 16.06 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.53 135.9 44.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.773 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 152.43 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.4 t -92.72 103.78 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.288 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.71 165.81 11.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.129 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -65.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.14 136.02 33.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.36 -25.61 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -38.08 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -28.56 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.35 -1.04 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.528 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.5 81.96 0.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -149.27 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.4 t -140.03 160.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.5 m -125.97 108.93 11.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -118.27 163.14 17.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.06 132.86 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -55.51 -22.04 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.488 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.65 20.86 5.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.319 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -85.38 133.3 34.13 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.166 0.508 . . . . 0.0 110.281 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -9.5 54.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.013 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -125.33 67.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.15 147.23 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -107.39 93.0 9.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -43.84 117.68 1.29 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.784 2.323 . . . . 0.0 113.011 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 90.37 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.572 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -164.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.1 m95 48.68 27.25 1.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.644 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t 177.66 142.14 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.372 . . . . 0.0 110.967 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.18 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.89 -177.19 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -14.7 56.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.19 147.66 23.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 12.87 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -127.02 -17.48 4.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -100.27 145.18 28.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 155.28 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -94.74 104.49 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.84 165.8 11.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.175 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -70.25 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.797 0.332 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.21 147.47 26.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.07 -28.27 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -41.66 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -63.01 -24.88 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.21 39.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.513 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m 61.26 73.45 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.039 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.1 -164.0 9.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.24 156.81 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.337 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -107.51 100.35 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -106.66 163.85 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.74 138.51 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -15.33 62.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.07 23.63 13.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.7 0.286 . . . . 0.0 111.406 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.36 155.34 28.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.6 0.714 . . . . 0.0 110.718 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -16.37 18.51 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.247 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -122.35 65.88 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -136.47 124.3 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 mttt -99.18 87.22 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.343 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 10.6 Cg_endo -54.24 124.79 16.88 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.53 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 129.88 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.698 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.97 -171.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.162 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.3 m95 44.75 45.39 8.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.515 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -178.09 144.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -126.12 163.53 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 177.7 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.4 -35.43 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.01 151.22 21.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.987 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 15.64 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.03 18.17 2.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.585 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.89 168.51 15.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 146.88 48.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -93.31 99.08 11.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.0 m -99.49 161.42 13.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.114 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -60.64 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.58 36.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.5 -29.51 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -31.63 22.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -29.67 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 11.88 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m 56.79 75.89 0.33 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.79 0.329 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.38 -163.95 11.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.41 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 t -140.27 160.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.289 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.9 m -115.29 105.06 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.66 159.21 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.01 136.57 57.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -62.69 -16.39 57.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.365 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.28 19.05 14.95 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.26 154.23 24.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.514 0.674 . . . . 0.0 110.769 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -16.94 16.13 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.378 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -116.25 69.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.34 132.31 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.277 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -115.36 82.07 9.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.29 146.08 19.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.765 2.31 . . . . 0.0 112.558 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -104.89 167.03 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.15 158.57 17.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.025 0.441 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.5 m95 43.81 73.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.47 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -176.12 147.65 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 7' ' ' GLN . 22.6 p90 -137.74 152.11 48.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.97 158.71 15.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.86 -39.92 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.196 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.85 147.29 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 13.83 14.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.89 -18.37 6.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.962 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -99.83 159.68 14.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.48 149.8 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.2 t -93.53 101.98 14.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.335 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.29 164.34 12.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.963 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.29 -55.12 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.19 145.05 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -67.61 -30.12 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -15.46 27.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.0 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.787 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -103.45 -76.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.16 73.93 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.11 -172.43 12.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.194 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 t -140.32 159.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 111.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.8 m -99.61 99.07 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -99.86 164.48 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.23 136.65 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 111.375 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 3.9 mttp -66.33 -14.23 61.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.462 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.96 18.89 17.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.6 152.62 22.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.512 0.672 . . . . 0.0 110.688 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -11.53 14.81 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.533 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -121.69 68.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -139.64 141.34 37.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.321 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -100.02 91.4 1.63 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.419 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.9 123.43 12.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.604 2.203 . . . . 0.0 112.56 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.2 tpp -106.58 129.74 54.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.12 -172.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.0 m95 44.58 38.94 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -179.52 143.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -138.95 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.796 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.1 t -103.0 159.07 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.001 0.429 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.77 -32.36 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.367 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.87 149.93 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.033 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.13 17.21 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.72 15.15 3.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -132.05 139.83 48.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.92 154.96 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.5 t -98.95 103.62 15.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.04 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.64 165.05 11.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.92 -67.28 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.78 144.28 25.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -66.71 -24.14 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -38.66 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.449 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -29.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.92 -11.46 16.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.06 85.0 0.13 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.18 -153.73 6.19 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -140.1 159.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.228 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.682 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.58 159.31 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.64 132.3 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 12.1 pttt -55.34 -22.9 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.396 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 23.5 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.278 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -87.32 131.5 34.24 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -13.77 58.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.849 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -119.75 68.74 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -138.52 127.97 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -113.16 80.01 4.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.71 151.75 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.838 2.359 . . . . 0.0 112.769 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.75 177.93 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.16 130.31 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.431 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 1.5 m95 47.63 79.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.613 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -167.31 144.81 4.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.54 165.65 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.724 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.38 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.21 -33.18 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.93 151.27 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 10.89 12.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.76 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.4 13.48 2.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -118.21 164.06 15.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -121.69 147.41 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.0 t -93.37 97.95 10.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.14 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.44 161.62 13.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.12 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.917 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.5 138.89 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.2 t -56.17 -26.83 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -15.2 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.96 -79.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t 172.57 70.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -168.84 11.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.224 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -140.38 149.36 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 26.2 m -101.39 100.09 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -111.07 172.38 6.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.283 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 135.76 50.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.049 0.452 . . . . 0.0 111.147 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.71 -15.72 61.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.328 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 14.2 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.449 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 154.82 19.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.406 0.622 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -12.02 14.54 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.583 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -111.55 55.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 127.65 11.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.13 94.08 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 127.32 16.08 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.507 2.138 . . . . 0.0 112.415 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -100.99 163.08 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.779 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.0 -168.91 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.2 m95 43.92 41.66 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.66 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t -171.15 150.55 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -134.0 169.91 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -172.97 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.67 -51.43 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.93 162.34 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.079 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -90.2 21.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.509 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.07 18.95 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.985 0.422 . . . . 0.0 110.527 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -130.21 140.41 50.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.85 163.22 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.155 0.502 . . . . 0.0 111.118 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -110.3 92.83 4.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.507 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.0 152.15 21.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.82 -55.92 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.011 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.65 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.976 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 4.7 t -56.94 -26.97 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -38.04 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.527 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -27.8 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.28 -9.19 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.586 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t 70.85 83.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.59 -162.2 9.36 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.205 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 t -140.28 157.65 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 111.689 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -98.57 99.03 10.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.111 179.384 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.68 153.99 22.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.364 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.31 127.84 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -21.69 43.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.211 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 19.21 8.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -88.41 130.46 35.17 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.206 0.527 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.86 -6.02 57.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.831 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -122.58 69.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.06 158.15 43.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.55 82.2 4.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -47.01 123.22 7.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.794 2.329 . . . . 0.0 112.775 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ttp -109.12 113.35 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.548 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.99 -172.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.226 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.3 m95 44.17 44.29 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.516 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 t -178.35 141.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 42.0 p90 -117.77 160.75 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -176.39 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.42 -41.31 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.307 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.9 148.8 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 6.35 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.355 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.35 -21.93 7.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 4.1 tt0 -100.06 153.66 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 166.33 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 111.087 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -103.74 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.143 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.43 164.99 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.001 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.22 -64.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.855 0.36 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.27 139.97 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.04 -26.35 67.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -50.42 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.364 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -59.4 -22.67 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -99.91 7.24 45.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.419 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p 52.83 76.87 0.18 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 0.0 111.231 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.3 7.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.399 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 t -140.24 163.21 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 110.664 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 m -125.32 108.49 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.83 170.06 8.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.69 152.58 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.077 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -73.92 -23.74 59.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.267 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.0 23.88 9.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.569 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.99 153.24 32.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.607 0.717 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -12.85 15.67 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.626 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -124.01 66.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.27 146.87 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 93.41 10.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -43.94 113.73 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.723 2.282 . . . . 0.0 112.935 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.82 101.0 9.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.572 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.23 -172.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.1 m95 50.21 41.34 23.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.44 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -178.39 154.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -140.1 168.62 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.213 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -107.74 174.28 5.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -78.22 -31.05 49.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -93.45 148.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -90.24 21.97 3.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.396 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.61 16.79 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.719 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -133.56 139.19 46.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.633 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -101.83 147.79 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.8 101.59 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.202 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 m -99.87 166.85 10.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.119 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -69.03 -58.05 4.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.42 144.92 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -64.03 -28.46 69.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -35.37 26.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.8 t -56.63 -29.85 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -106.07 -9.34 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.376 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t 70.5 82.51 0.15 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.82 -160.16 8.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.98 149.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.244 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -102.79 98.89 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -111.95 159.07 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.6 140.81 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.134 0.492 . . . . 0.0 110.802 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.5 pttm -63.47 -16.25 60.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.512 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 24.24 12.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.756 0.313 . . . . 0.0 111.457 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 155.29 25.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.484 0.659 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -15.79 19.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.211 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -118.5 68.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -147.84 122.12 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -112.44 85.24 6.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.338 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -44.04 145.35 2.19 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.867 2.378 . . . . 0.0 112.788 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mmm -100.04 175.15 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.09 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.0 m95 47.78 78.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.67 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -167.96 147.51 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.877 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -136.39 156.66 48.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.95 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.18 -40.51 74.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -89.92 149.74 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 18.92 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.03 11.99 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.336 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -125.05 165.12 18.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.07 147.94 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.903 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.29 99.23 10.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.162 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.1 m -99.36 162.48 13.01 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.17 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -65.19 -67.08 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.67 133.39 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -27.77 46.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.648 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -38.56 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -109.48 13.56 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.464 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 55.8 84.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.239 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.13 -158.52 10.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.223 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 t -140.15 139.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.348 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.41 98.77 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -119.81 161.97 19.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.99 133.91 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 111.204 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 5.6 pttt -57.78 -21.64 42.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.357 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.3 19.49 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.203 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -87.44 131.15 34.42 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.184 0.516 . . . . 0.0 110.619 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -5.15 55.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.817 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -115.88 54.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.58 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 87.98 11.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.41 113.33 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.617 2.211 . . . . 0.0 112.407 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.9 mtm -103.62 126.26 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.81 -166.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.61 38.23 3.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -177.53 146.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -137.73 166.91 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.2 t -106.6 159.29 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -31.22 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.19 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -90.14 146.21 24.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 12.04 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.355 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.78 -13.06 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.58 143.06 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pttt -99.96 163.89 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.529 . . . . 0.0 111.339 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -108.44 92.44 4.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 163.55 12.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.09 -67.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.26 26.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.21 -28.47 69.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -31.63 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.494 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -28.67 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.035 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.29 4.24 22.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.12 79.93 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.05 -162.6 9.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.1 157.29 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 m -112.83 105.58 13.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.79 157.35 19.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.094 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 133.64 41.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -24.05 12.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.515 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 13.95 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -90.19 133.61 34.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.199 0.524 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -14.02 50.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.631 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.61 41.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 0.0 110.688 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 43.2 t -136.21 116.13 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -104.64 99.48 18.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 78.3 Cg_exo -50.52 127.17 19.78 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.497 2.131 . . . . 0.0 112.632 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.51 138.41 46.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.31 -173.6 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 44.81 30.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.636 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -172.01 149.17 2.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.974 0.416 . . . . 0.0 111.195 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -137.24 172.49 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.492 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.81 160.25 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.83 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -89.78 152.13 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.933 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mtm-85 -90.09 12.97 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.592 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.49 -17.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -103.78 148.39 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 145.32 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -94.71 101.31 13.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.56 163.25 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.182 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.28 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.3 p90 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.84 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.18 136.98 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.17 -33.26 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.45 -19.22 26.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 t -63.68 -28.07 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.381 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' SER . 26.2 p80 -106.37 -58.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.666 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.4 m 151.9 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.45 0.3 . . . . 0.0 110.789 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.43 12.03 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 t -140.3 159.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.2 m -105.64 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 164.81 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.133 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.95 128.54 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -21.09 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 20.35 7.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.99 132.32 35.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.183 0.516 . . . . 0.0 110.315 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -10.87 54.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.831 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -118.4 71.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.18 148.21 34.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.8 88.96 8.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.25 122.51 6.57 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.758 2.306 . . . . 0.0 112.827 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.55 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.628 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.15 -171.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.3 m95 43.4 55.05 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.665 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 t 177.99 153.26 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.27 161.64 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.92 -176.29 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -83.33 -35.07 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -101.04 158.96 15.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 17.46 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.428 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.75 11.61 3.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.86 148.89 46.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.645 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 155.1 20.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.41 . . . . 0.0 111.072 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -98.57 104.59 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.149 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.62 163.6 12.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.08 -61.46 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.88 145.89 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.74 -26.39 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -37.87 16.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.477 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -57.21 -29.4 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -102.03 -10.63 19.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.02 82.57 0.15 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -154.66 6.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.15 149.59 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -117.65 106.91 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -112.43 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.98 140.48 48.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.92 61.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.437 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 17.92 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 151.24 21.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.588 0.709 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.57 11.59 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.696 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.45 47.75 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -108.41 97.43 22.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.4 124.86 11.27 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.536 2.157 . . . . 0.0 112.613 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.8 121.71 45.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.68 -169.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.32 39.97 4.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.459 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -176.53 148.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.08 -179.15 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -177.16 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.798 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -37.06 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.98 145.89 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -90.32 23.96 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.47 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -137.72 16.16 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.661 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.88 137.71 46.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.664 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 141.72 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.982 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -93.36 102.09 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.417 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 166.52 10.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -59.65 -71.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.747 0.308 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.32 -57.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -144.17 -159.84 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.49 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.56 45.82 1.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.6 mtt -64.83 174.59 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -119.38 -176.18 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.09 141.64 30.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 t -63.1 -27.05 69.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.48 -14.3 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -67.47 -34.39 77.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.38 -76.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 171.09 75.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.13 -171.23 12.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.6 t -140.31 161.47 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.737 0.303 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -112.63 103.12 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.77 170.09 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.97 137.37 55.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -15.02 62.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.401 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.16 21.25 12.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.664 0.269 . . . . 0.0 111.449 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 155.06 24.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.536 0.684 . . . . 0.0 110.732 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -14.69 16.05 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.399 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.26 64.6 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.04 123.61 26.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -97.88 95.78 2.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.435 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.3 129.88 28.41 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.481 2.121 . . . . 0.0 112.524 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.4 mtp -110.22 147.96 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.89 -169.45 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.1 35.76 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.496 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -177.98 146.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -138.52 171.34 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 t -99.97 163.35 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -79.84 -26.94 40.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.41 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -89.86 149.64 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 14.97 11.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -139.31 16.14 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.21 143.12 48.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 148.17 27.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.08 101.04 13.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.68 165.58 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.005 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -51.93 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.6 tt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -149.21 72.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 40.7 p90 -145.27 119.18 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.08 50.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.84 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.0 mtt -83.61 178.93 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.999 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -121.39 -172.84 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.38 134.14 37.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 t -57.52 -21.81 40.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -18.49 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -40.02 96.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.739 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 t 168.29 88.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.02 -166.1 10.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 t -140.17 159.19 25.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.889 0.376 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.4 m -114.75 103.88 11.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.48 162.14 15.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 134.04 51.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.439 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -16.95 50.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.383 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.26 17.85 9.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.665 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.78 19.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.455 0.645 . . . . 0.0 110.714 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.82 14.89 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -112.84 71.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -146.6 143.95 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -111.68 88.77 9.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.48 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.55 130.26 17.9 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.732 2.288 . . . . 0.0 112.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttm -118.72 108.67 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 30' ' ' THR . . . -62.89 -173.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.2 m95 50.22 34.74 9.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.62 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 28' ' ' ALA . 13.9 t -174.04 148.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.183 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.04 161.19 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.04 159.46 15.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.039 0.447 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -58.8 -27.51 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.495 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -89.84 134.83 33.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -80.52 0.97 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.549 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -118.87 -15.31 9.39 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.84 148.51 24.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.03 155.64 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -99.88 104.55 16.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.095 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.67 165.47 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -61.58 -66.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.924 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -139.27 96.49 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.96 100.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.75 74.9 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.25 164.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -150.06 -173.84 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.9 148.03 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -66.22 -30.01 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.54 28.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -25.87 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 10.26 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.493 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.1 t 56.82 72.5 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 -164.42 9.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.32 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 t -140.32 159.41 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.8 m -112.53 103.92 12.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.88 166.21 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.74 133.65 48.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.28 -21.61 24.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.39 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.13 21.87 5.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.387 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -88.11 132.29 34.37 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 121.225 0.536 . . . . 0.0 110.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -10.23 55.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.926 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.75 68.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.62 142.2 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -107.35 96.21 15.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.64 119.25 2.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.769 2.313 . . . . 0.0 112.787 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 115.9 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.675 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.08 -177.25 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.248 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.0 m95 40.85 52.0 3.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.705 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 t -176.22 144.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -127.39 159.51 34.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.585 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.77 174.34 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.993 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.94 -40.85 53.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 152.67 21.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.24 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -137.91 13.84 2.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -127.48 148.09 50.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.731 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 148.42 26.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 103.32 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.252 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.9 m -99.61 163.6 12.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.135 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.89 -51.03 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.864 0.364 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 6.2 t80 -146.81 75.91 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 6.7 m-85 -167.06 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.81 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -147.32 81.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.41 -170.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -149.22 -176.16 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.48 139.13 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.1 -29.93 65.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -40.15 13.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -58.03 -28.31 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.95 14.18 31.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 p 53.13 71.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.862 0.363 . . . . 0.0 111.225 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.14 -164.67 11.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.351 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 t -140.37 168.28 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.552 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -131.32 115.41 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.139 0.495 . . . . 0.0 110.779 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.52 175.46 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.894 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.29 152.3 29.57 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.149 0.499 . . . . 0.0 110.692 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 6.56 23.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.477 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.46 16.47 12.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.234 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 154.58 21.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.431 0.634 . . . . 0.0 110.804 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -14.13 15.32 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.563 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -111.78 71.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.044 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.07 145.23 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 90.42 10.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.689 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.66 130.6 15.28 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.668 2.245 . . . . 0.0 112.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.8 mmm -118.36 104.18 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -167.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.59 48.7 11.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.475 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.1 t -178.98 150.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -127.96 152.63 47.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.95 -170.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -99.97 -29.95 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.94 140.0 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 16.64 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.531 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.0 16.37 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 151.08 52.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.691 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.93 149.77 23.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.816 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.52 106.78 19.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.97 167.8 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.28 -70.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.68 85.33 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -150.25 104.25 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -162.63 103.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 mtt -105.57 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -123.44 -168.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.46 145.42 24.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -73.68 -27.17 61.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -30.52 18.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -55.27 -31.69 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -111.15 13.0 21.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.434 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.22 82.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.77 -152.26 7.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -139.96 162.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.618 0.247 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -132.27 113.09 12.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.25 136.4 53.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -14.47 60.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.567 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 15.55 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.13 155.31 19.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.516 0.674 . . . . 0.0 110.769 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.98 -13.24 14.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.535 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -114.33 71.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.921 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.48 145.48 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.09 90.81 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.28 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.97 116.59 3.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.75 2.3 . . . . 0.0 112.653 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ttt -107.87 116.82 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.35 -175.54 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.275 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.8 m95 44.34 46.35 7.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.2 t -179.05 142.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.202 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -140.24 169.43 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.7 -178.52 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -27.38 56.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.84 146.72 24.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 19.04 5.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.47 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.09 16.84 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.82 142.63 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.59 148.15 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.777 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -94.2 106.59 18.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.054 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 m -99.61 164.15 12.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.173 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -73.23 -66.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.955 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 1' ' ' ILE . 26.0 mm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -137.65 -46.98 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' O ' ' CD2' ' A' ' 4' ' ' PHE . 28.9 p90 -115.86 51.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.86 40.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.6 mtt -149.61 170.37 18.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -124.52 -178.35 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.08 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.0 t -52.07 -27.57 14.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -31.41 19.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.89 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.003 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 9.03 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 57.14 81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.1 -164.04 10.72 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.261 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.27 129.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 10.7 m -97.87 101.35 12.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.445 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.93 158.94 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.188 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.24 138.95 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -60.18 -18.88 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.426 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.36 16.65 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.614 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 156.89 17.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.508 0.67 . . . . 0.0 110.668 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.79 -10.35 20.85 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.276 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -119.63 68.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -150.16 102.89 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 6.5 mttp -94.44 95.92 1.63 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 19.1 Cg_endo -58.23 129.97 35.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.508 2.139 . . . . 0.0 112.552 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.05 167.17 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.624 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.05 175.66 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 111.116 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.7 m95 41.29 54.08 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.827 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.1 t -177.94 144.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -140.23 179.94 6.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.46 177.12 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -81.78 -37.49 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -91.6 145.93 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 21.17 3.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.497 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.43 -21.51 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -99.87 155.6 17.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.791 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -114.99 141.65 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -92.58 101.49 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -105.41 164.78 11.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.824 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -48.19 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.12 95.58 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.73 17.24 13.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.26 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 51.99 71.8 0.43 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.9 -173.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -149.88 -173.91 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.53 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.22 -23.55 36.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -32.62 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.565 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -30.5 67.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -108.56 -2.65 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.39 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 m 64.13 87.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.21 -148.46 5.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.2 t -140.02 160.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.715 0.293 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.2 m -124.23 107.78 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 173.06 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.05 132.07 44.57 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -16.23 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.08 14.38 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.554 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.78 155.13 19.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.514 0.673 . . . . 0.0 110.737 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -13.98 15.34 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.36 70.26 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.08 136.78 24.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -98.96 91.94 1.49 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.427 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 120.26 7.96 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.535 2.157 . . . . 0.0 112.492 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -100.95 124.72 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.647 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.99 -170.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.2 m95 45.14 33.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.563 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -177.43 146.67 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -140.08 175.89 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 t -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.811 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.46 -27.83 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.84 149.77 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.963 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -86.96 14.15 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.66 16.06 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.53 135.9 44.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.773 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 152.43 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.4 t -92.72 103.78 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.288 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.71 165.81 11.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.129 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -65.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.582 0.229 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -129.04 -50.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -101.51 54.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -105.55 39.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.24 -167.97 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -130.09 175.49 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.14 136.02 33.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.36 -25.61 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -38.08 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -28.56 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.35 -1.04 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.528 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.5 81.96 0.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -149.27 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.4 t -140.03 160.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.5 m -125.97 108.93 11.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.492 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -118.27 163.14 17.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.06 132.86 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -55.51 -22.04 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.488 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.65 20.86 5.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.319 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -85.38 133.3 34.13 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.166 0.508 . . . . 0.0 110.281 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -9.5 54.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.013 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -125.33 67.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.15 147.23 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -107.39 93.0 9.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -43.84 117.68 1.29 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.784 2.323 . . . . 0.0 113.011 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 90.37 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.572 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -164.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.335 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.1 m95 48.68 27.25 1.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.644 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t 177.66 142.14 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.372 . . . . 0.0 110.967 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.18 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.89 -177.19 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -14.7 56.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.19 147.66 23.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 12.87 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -127.02 -17.48 4.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -100.27 145.18 28.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 155.28 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -94.74 104.49 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.84 165.8 11.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.175 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -70.25 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -120.65 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -133.64 114.47 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.38 42.93 1.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -80.75 157.9 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -149.95 -174.02 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.21 147.47 26.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.07 -28.27 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -41.66 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -63.01 -24.88 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.21 39.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.513 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m 61.26 73.45 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.039 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.1 -164.0 9.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.24 156.81 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.337 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -107.51 100.35 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -106.66 163.85 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.74 138.51 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -15.33 62.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.07 23.63 13.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.7 0.286 . . . . 0.0 111.406 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.36 155.34 28.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.6 0.714 . . . . 0.0 110.718 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -16.37 18.51 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.247 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -122.35 65.88 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -136.47 124.3 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 mttt -99.18 87.22 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.343 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 10.6 Cg_endo -54.24 124.79 16.88 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.53 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 129.88 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.698 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.97 -171.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.162 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.3 m95 44.75 45.39 8.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.515 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -178.09 144.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -126.12 163.53 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 177.7 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.4 -35.43 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.01 151.22 21.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.987 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 15.64 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.03 18.17 2.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.585 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.89 168.51 15.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 146.88 48.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -93.31 99.08 11.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.0 m -99.49 161.42 13.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.114 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -60.64 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.85 -44.96 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.12 85.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.95 81.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.9 mtt -134.85 -174.05 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -132.79 178.48 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.58 36.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.5 -29.51 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -31.63 22.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -29.67 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 11.88 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m 56.79 75.89 0.33 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.79 0.329 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.38 -163.95 11.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.41 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 t -140.27 160.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.289 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.9 m -115.29 105.06 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.66 159.21 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.01 136.57 57.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -62.69 -16.39 57.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.365 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.28 19.05 14.95 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.26 154.23 24.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.514 0.674 . . . . 0.0 110.769 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -16.94 16.13 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.378 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -116.25 69.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.34 132.31 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.277 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -115.36 82.07 9.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.29 146.08 19.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.765 2.31 . . . . 0.0 112.558 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -104.89 167.03 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.15 158.57 17.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.025 0.441 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.5 m95 43.81 73.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.47 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -176.12 147.65 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 7' ' ' GLN . 22.6 p90 -137.74 152.11 48.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.97 158.71 15.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.86 -39.92 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.196 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.85 147.29 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 13.83 14.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.89 -18.37 6.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.962 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -99.83 159.68 14.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.48 149.8 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.2 t -93.53 101.98 14.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.335 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.29 164.34 12.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.963 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.29 -55.12 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.781 0.325 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -115.29 94.49 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.78 67.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.5 mtt -95.95 -178.4 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -133.71 179.14 6.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.19 145.05 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -67.61 -30.12 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -15.46 27.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -32.0 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.787 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -103.45 -76.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.16 73.93 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.11 -172.43 12.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.194 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 t -140.32 159.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 111.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.8 m -99.61 99.07 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -99.86 164.48 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.23 136.65 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 111.375 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 3.9 mttp -66.33 -14.23 61.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.462 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.96 18.89 17.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.6 152.62 22.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.512 0.672 . . . . 0.0 110.688 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -11.53 14.81 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.533 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -121.69 68.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -139.64 141.34 37.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.321 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -100.02 91.4 1.63 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.419 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.9 123.43 12.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.604 2.203 . . . . 0.0 112.56 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.2 tpp -106.58 129.74 54.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.12 -172.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.0 m95 44.58 38.94 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -179.52 143.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -138.95 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.796 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.1 t -103.0 159.07 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.001 0.429 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.77 -32.36 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.367 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.87 149.93 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.033 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.13 17.21 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.72 15.15 3.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -132.05 139.83 48.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.92 154.96 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.5 t -98.95 103.62 15.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.04 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.64 165.05 11.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.92 -67.28 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.765 0.317 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.7 -67.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -132.7 68.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.66 99.09 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mtm 48.75 -173.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.9 -172.42 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.78 144.28 25.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -66.71 -24.14 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -38.66 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.449 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -29.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.92 -11.46 16.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.06 85.0 0.13 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.18 -153.73 6.19 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -140.1 159.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.228 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.682 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.58 159.31 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.64 132.3 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 12.1 pttt -55.34 -22.9 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.396 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 23.5 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.278 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -87.32 131.5 34.24 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -13.77 58.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.849 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -119.75 68.74 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -138.52 127.97 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -113.16 80.01 4.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -44.71 151.75 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.838 2.359 . . . . 0.0 112.769 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.75 177.93 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.16 130.31 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.431 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 1.5 m95 47.63 79.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.613 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -167.31 144.81 4.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.54 165.65 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.724 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.38 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.21 -33.18 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.93 151.27 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 10.89 12.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.76 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.4 13.48 2.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -118.21 164.06 15.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -121.69 147.41 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.0 t -93.37 97.95 10.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.14 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.5 m -99.44 161.62 13.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.12 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.917 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.75 0.309 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.71 -43.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.11 128.1 16.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.79 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.59 55.93 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.4 mtm -132.2 -175.59 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -114.85 174.27 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.5 138.89 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.2 t -56.17 -26.83 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -15.2 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.96 -79.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t 172.57 70.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -168.84 11.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.224 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -140.38 149.36 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 26.2 m -101.39 100.09 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -111.07 172.38 6.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.283 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 135.76 50.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.049 0.452 . . . . 0.0 111.147 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.71 -15.72 61.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.328 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 14.2 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.449 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 154.82 19.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.406 0.622 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -12.02 14.54 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.583 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -111.55 55.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 127.65 11.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.13 94.08 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 127.32 16.08 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.507 2.138 . . . . 0.0 112.415 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -100.99 163.08 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.779 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.0 -168.91 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.2 m95 43.92 41.66 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.66 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t -171.15 150.55 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -134.0 169.91 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -172.97 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.67 -51.43 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.93 162.34 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.079 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -90.2 21.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.509 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.07 18.95 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.985 0.422 . . . . 0.0 110.527 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -130.21 140.41 50.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.765 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.85 163.22 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.155 0.502 . . . . 0.0 111.118 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -110.3 92.83 4.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.507 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.0 152.15 21.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.82 -55.92 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.011 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.917 0.389 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.75 -4.45 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.328 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 62.83 108.7 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.01 58.79 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 29.5 mtm -124.86 -176.83 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -112.6 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.65 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.976 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 4.7 t -56.94 -26.97 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -38.04 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.527 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -27.8 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.28 -9.19 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.586 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t 70.85 83.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.59 -162.2 9.36 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.205 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 t -140.28 157.65 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 111.689 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -98.57 99.03 10.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.111 179.384 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.68 153.99 22.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.364 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.31 127.84 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -21.69 43.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.211 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 19.21 8.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -88.41 130.46 35.17 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.206 0.527 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.86 -6.02 57.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.831 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -122.58 69.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.06 158.15 43.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.55 82.2 4.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -47.01 123.22 7.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.794 2.329 . . . . 0.0 112.775 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ttp -109.12 113.35 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.548 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.99 -172.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.226 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.3 m95 44.17 44.29 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.516 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 t -178.35 141.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 42.0 p90 -117.77 160.75 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -176.39 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.42 -41.31 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.307 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.9 148.8 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 6.35 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.355 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.35 -21.93 7.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 4.1 tt0 -100.06 153.66 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 166.33 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 111.087 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -103.74 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.143 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.43 164.99 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.001 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.22 -64.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -126.72 31.36 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -172.6 96.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -176.56 74.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.5 mtt -72.51 -171.81 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -141.97 -177.24 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.27 139.97 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.04 -26.35 67.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -50.42 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.364 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -59.4 -22.67 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -99.91 7.24 45.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.419 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p 52.83 76.87 0.18 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 0.0 111.231 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.3 7.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.399 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 t -140.24 163.21 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 110.664 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 m -125.32 108.49 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.83 170.06 8.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.69 152.58 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.077 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -73.92 -23.74 59.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.267 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.0 23.88 9.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.569 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.99 153.24 32.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.607 0.717 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -12.85 15.67 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.626 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -124.01 66.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.27 146.87 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 93.41 10.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -43.94 113.73 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.723 2.282 . . . . 0.0 112.935 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.82 101.0 9.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.572 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.23 -172.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.1 m95 50.21 41.34 23.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.44 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -178.39 154.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -140.1 168.62 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.213 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -107.74 174.28 5.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -78.22 -31.05 49.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -93.45 148.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -90.24 21.97 3.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.396 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.61 16.79 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.719 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -133.56 139.19 46.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.633 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -101.83 147.79 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.8 101.59 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.202 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 m -99.87 166.85 10.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.119 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -69.03 -58.05 4.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.887 0.375 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.81 -55.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -162.55 111.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -105.54 49.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.34 178.23 4.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -130.84 -179.71 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.42 144.92 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -64.03 -28.46 69.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -35.37 26.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.8 t -56.63 -29.85 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -106.07 -9.34 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.376 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t 70.5 82.51 0.15 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.82 -160.16 8.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.98 149.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.244 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -102.79 98.89 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -111.95 159.07 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.6 140.81 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.134 0.492 . . . . 0.0 110.802 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.5 pttm -63.47 -16.25 60.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.512 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 24.24 12.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.756 0.313 . . . . 0.0 111.457 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 155.29 25.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.484 0.659 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -15.79 19.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.211 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -118.5 68.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -147.84 122.12 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -112.44 85.24 6.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.338 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -44.04 145.35 2.19 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.867 2.378 . . . . 0.0 112.788 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mmm -100.04 175.15 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.09 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.0 m95 47.78 78.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.67 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -167.96 147.51 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.877 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -136.39 156.66 48.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.95 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.18 -40.51 74.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -89.92 149.74 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 18.92 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.03 11.99 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.336 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -125.05 165.12 18.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.07 147.94 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.903 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.29 99.23 10.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.162 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.1 m -99.36 162.48 13.01 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.17 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -65.19 -67.08 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.3 pt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -99.51 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -164.74 32.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 60.63 85.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.9 mtp -92.08 161.97 14.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -111.75 -174.5 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.67 133.39 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -27.77 46.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.648 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -38.56 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -109.48 13.56 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.464 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 55.8 84.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.239 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.13 -158.52 10.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.223 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 t -140.15 139.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.348 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.41 98.77 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -119.81 161.97 19.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.99 133.91 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 111.204 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 5.6 pttt -57.78 -21.64 42.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.357 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.3 19.49 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.203 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -87.44 131.15 34.42 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.184 0.516 . . . . 0.0 110.619 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -5.15 55.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.817 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -115.88 54.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.58 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 87.98 11.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.41 113.33 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.617 2.211 . . . . 0.0 112.407 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.9 mtm -103.62 126.26 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.81 -166.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.61 38.23 3.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -177.53 146.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -137.73 166.91 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.2 t -106.6 159.29 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -31.22 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.19 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -90.14 146.21 24.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 12.04 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.355 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.78 -13.06 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.58 143.06 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pttt -99.96 163.89 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.529 . . . . 0.0 111.339 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -108.44 92.44 4.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 163.55 12.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.09 -67.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.788 0.327 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.46 -52.98 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.04 99.3 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -103.92 79.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 mtt 49.78 -175.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.323 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -145.09 -173.34 4.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.26 26.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.21 -28.47 69.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -31.63 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.494 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -28.67 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.035 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.29 4.24 22.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.12 79.93 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.05 -162.6 9.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.1 157.29 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.0 m -112.83 105.58 13.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.79 157.35 19.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.094 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 133.64 41.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -24.05 12.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.515 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 13.95 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -90.19 133.61 34.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.199 0.524 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -14.02 50.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.631 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.61 41.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 0.0 110.688 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 43.2 t -136.21 116.13 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -104.64 99.48 18.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 78.3 Cg_exo -50.52 127.17 19.78 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.497 2.131 . . . . 0.0 112.632 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.51 138.41 46.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.31 -173.6 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 44.81 30.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.636 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -172.01 149.17 2.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.974 0.416 . . . . 0.0 111.195 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -137.24 172.49 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.492 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.81 160.25 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.83 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -89.78 152.13 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.933 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mtm-85 -90.09 12.97 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.592 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.49 -17.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -103.78 148.39 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 145.32 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -94.71 101.31 13.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.56 163.25 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.182 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.28 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.3 p90 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.84 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.829 0.347 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -98.57 -35.39 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -65.42 90.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.13 74.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.6 mtt -90.46 -176.95 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -147.93 146.17 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.18 136.98 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.17 -33.26 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.45 -19.22 26.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 t -63.68 -28.07 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.381 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' SER . 26.2 p80 -106.37 -58.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.666 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.4 m 151.9 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.45 0.3 . . . . 0.0 110.789 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.43 12.03 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 t -140.3 159.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.2 m -105.64 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 164.81 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.133 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.95 128.54 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -21.09 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 20.35 7.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.99 132.32 35.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.183 0.516 . . . . 0.0 110.315 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -10.87 54.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.831 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -118.4 71.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.18 148.21 34.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.8 88.96 8.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.25 122.51 6.57 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.758 2.306 . . . . 0.0 112.827 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.55 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.628 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.15 -171.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.3 m95 43.4 55.05 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.665 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 t 177.99 153.26 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.27 161.64 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.92 -176.29 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -83.33 -35.07 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -101.04 158.96 15.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 17.46 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.428 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.75 11.61 3.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.86 148.89 46.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.645 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 155.1 20.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.41 . . . . 0.0 111.072 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -98.57 104.59 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.149 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.62 163.6 12.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.08 -61.46 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.76 -48.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.24 63.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.8 177.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.228 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -148.71 -174.63 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.88 145.89 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.74 -26.39 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -37.87 16.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.477 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -57.21 -29.4 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -102.03 -10.63 19.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.02 82.57 0.15 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -154.66 6.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.15 149.59 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -117.65 106.91 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -112.43 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.98 140.48 48.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.92 61.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.437 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 17.92 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 151.24 21.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.588 0.709 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.57 11.59 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.696 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.45 47.75 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -108.41 97.43 22.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.4 124.86 11.27 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.536 2.157 . . . . 0.0 112.613 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.8 121.71 45.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.68 -169.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.32 39.97 4.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.459 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -176.53 148.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.08 -179.15 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -177.16 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.798 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -37.06 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.98 145.89 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -90.32 23.96 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.47 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -137.72 16.16 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.661 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.88 137.71 46.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.664 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 141.72 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.982 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -93.36 102.09 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.417 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 166.52 10.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -59.65 -71.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -85.09 141.64 30.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 t -63.1 -27.05 69.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.48 -14.3 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.866 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 38.9 t -67.47 -34.39 77.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.38 -76.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 171.09 75.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.13 -171.23 12.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.6 t -140.31 161.47 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.737 0.303 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' HG12 ' A' ' 15' ' ' VAL . 56.3 m -112.63 103.12 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.678 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.77 170.09 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.97 137.37 55.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -15.02 62.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.401 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.16 21.25 12.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.664 0.269 . . . . 0.0 111.449 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 155.06 24.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.536 0.684 . . . . 0.0 110.732 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -14.69 16.05 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.399 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.26 64.6 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.04 123.61 26.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -97.88 95.78 2.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.435 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.3 129.88 28.41 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.481 2.121 . . . . 0.0 112.524 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.4 mtp -110.22 147.96 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.838 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.89 -169.45 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.1 35.76 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.496 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -177.98 146.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -138.52 171.34 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 t -99.97 163.35 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -79.84 -26.94 40.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.41 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -89.86 149.64 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 14.97 11.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -139.31 16.14 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.21 143.12 48.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 148.17 27.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.08 101.04 13.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.68 165.58 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.005 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -51.93 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.772 0.32 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -94.38 134.14 37.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.168 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 t -57.52 -21.81 40.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -18.49 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -63.03 -40.02 96.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.739 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 t 168.29 88.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.02 -166.1 10.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.17 159.19 25.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.889 0.376 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 15' ' ' VAL . 75.4 m -114.75 103.88 11.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.48 162.14 15.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 134.04 51.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.439 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -16.95 50.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.383 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.26 17.85 9.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.665 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.78 19.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.455 0.645 . . . . 0.0 110.714 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.82 14.89 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -112.84 71.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -146.6 143.95 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -111.68 88.77 9.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.48 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.55 130.26 17.9 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.732 2.288 . . . . 0.0 112.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 ttm -118.72 108.67 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . . . -62.89 -173.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.2 m95 50.22 34.74 9.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.62 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' MET . 13.9 t -174.04 148.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.183 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.04 161.19 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.04 159.46 15.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.039 0.447 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -58.8 -27.51 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.495 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -89.84 134.83 33.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -80.52 0.97 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.549 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -118.87 -15.31 9.39 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.84 148.51 24.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.03 155.64 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -99.88 104.55 16.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.095 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.67 165.47 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -61.58 -66.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.924 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.9 148.03 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -66.22 -30.01 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.54 28.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.589 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -65.34 -25.87 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 10.26 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.493 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.1 t 56.82 72.5 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 -164.42 9.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.32 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.3 t -140.32 159.41 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 89.8 m -112.53 103.92 12.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.88 166.21 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.74 133.65 48.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.28 -21.61 24.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.39 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.13 21.87 5.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.387 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -88.11 132.29 34.37 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 121.225 0.536 . . . . 0.0 110.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -10.23 55.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.926 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.75 68.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.62 142.2 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -107.35 96.21 15.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.64 119.25 2.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.769 2.313 . . . . 0.0 112.787 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 115.9 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.675 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 30' ' ' THR . . . -75.08 -177.25 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.248 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.0 m95 40.85 52.0 3.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.705 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 28' ' ' ALA . 7.7 t -176.22 144.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -127.39 159.51 34.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.585 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.77 174.34 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.993 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.94 -40.85 53.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 152.67 21.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.24 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -137.91 13.84 2.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -127.48 148.09 50.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.731 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 148.42 26.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 103.32 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.252 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.9 m -99.61 163.6 12.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.135 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.89 -51.03 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.691 0.282 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -100.48 139.13 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.08 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.1 -29.93 65.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -40.15 13.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 47.4 t -58.03 -28.31 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 14.18 31.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 p 53.13 71.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.862 0.363 . . . . 0.0 111.225 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.14 -164.67 11.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.351 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 16' ' ' CYS . 2.5 t -140.37 168.28 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.552 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.518 ' H ' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -131.32 115.41 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.139 0.495 . . . . 0.0 110.779 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.52 175.46 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.894 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.29 152.3 29.57 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.149 0.499 . . . . 0.0 110.692 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -84.56 6.56 23.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.477 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.46 16.47 12.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.234 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 154.58 21.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.431 0.634 . . . . 0.0 110.804 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -14.13 15.32 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.563 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -111.78 71.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.044 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.07 145.23 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 90.42 10.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.689 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.66 130.6 15.28 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.668 2.245 . . . . 0.0 112.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.8 mmm -118.36 104.18 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 30' ' ' THR . . . -66.67 -167.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.3 m95 45.59 48.7 11.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.475 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.1 t -178.98 150.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -127.96 152.63 47.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.95 -170.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -99.97 -29.95 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.94 140.0 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 16.64 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.531 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.0 16.37 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 151.08 52.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.691 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.93 149.77 23.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.816 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.52 106.78 19.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.97 167.8 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.28 -70.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.317 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -92.46 145.42 24.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -73.68 -27.17 61.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -30.52 18.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 28.9 t -55.27 -31.69 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -111.15 13.0 21.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.434 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.22 82.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.77 -152.26 7.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.4 t -139.96 162.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.618 0.247 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' HG12 ' A' ' 15' ' ' VAL . 92.6 m -132.27 113.09 12.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.25 136.4 53.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -14.47 60.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.567 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 15.55 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.13 155.31 19.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.516 0.674 . . . . 0.0 110.769 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.98 -13.24 14.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.535 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -114.33 71.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.921 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.48 145.48 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.09 90.81 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.28 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.97 116.59 3.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.75 2.3 . . . . 0.0 112.653 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ttt -107.87 116.82 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.35 -175.54 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.275 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.8 m95 44.34 46.35 7.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.702 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -179.05 142.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.202 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -140.24 169.43 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.7 -178.52 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -27.38 56.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.84 146.72 24.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 19.04 5.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.47 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.09 16.84 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.82 142.63 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -103.59 148.15 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.777 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -94.2 106.59 18.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.054 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 m -99.61 164.15 12.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.173 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -73.23 -66.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.955 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -90.08 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.0 t -52.07 -27.57 14.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -31.41 19.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -58.02 -30.89 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.003 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 9.03 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 57.14 81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.1 -164.04 10.72 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.261 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.27 129.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 10.7 m -97.87 101.35 12.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.445 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.93 158.94 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.188 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.5 p-10 -55.24 138.95 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -60.18 -18.88 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.426 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.36 16.65 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.614 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.25 156.89 17.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.508 0.67 . . . . 0.0 110.668 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.79 -10.35 20.85 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.276 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -119.63 68.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 49.6 t -150.16 102.89 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 mttp -94.44 95.92 1.63 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 19.1 Cg_endo -58.23 129.97 35.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.508 2.139 . . . . 0.0 112.552 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.05 167.17 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.624 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.05 175.66 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.7 m95 41.29 54.08 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.827 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -177.94 144.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -140.23 179.94 6.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.46 177.12 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -81.78 -37.49 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -91.6 145.93 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 21.17 3.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.497 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -125.43 -21.51 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -99.87 155.6 17.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.791 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -114.99 141.65 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -92.58 101.49 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -105.41 164.78 11.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.824 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -48.19 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -94.5 143.53 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.22 -23.55 36.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.449 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.65 -32.62 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.565 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -30.5 67.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -108.56 -2.65 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.39 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 m 64.13 87.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.21 -148.46 5.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 16' ' ' CYS . 13.2 t -140.02 160.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.715 0.293 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' N ' HG12 ' A' ' 15' ' ' VAL . 18.2 m -124.23 107.78 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 173.06 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.05 132.07 44.57 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -16.23 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.08 14.38 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.554 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.78 155.13 19.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.514 0.673 . . . . 0.0 110.737 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -13.98 15.34 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.36 70.26 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.08 136.78 24.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -98.96 91.94 1.49 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.427 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 120.26 7.96 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.535 2.157 . . . . 0.0 112.492 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -100.95 124.72 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.647 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.99 -170.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.2 m95 45.14 33.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.563 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.2 t -177.43 146.67 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -140.08 175.89 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 t -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.811 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.46 -27.83 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.84 149.77 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.963 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -86.96 14.15 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.66 16.06 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.53 135.9 44.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.773 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 152.43 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.4 t -92.72 103.78 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.288 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.71 165.81 11.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.129 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -65.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -88.14 136.02 33.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.36 -25.61 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -38.08 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.18 -28.56 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.35 -1.04 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.528 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.5 81.96 0.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -149.27 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 16' ' ' CYS . 16.4 t -140.03 160.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 15' ' ' VAL . 74.5 m -125.97 108.93 11.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.492 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -118.27 163.14 17.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.06 132.86 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -55.51 -22.04 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.488 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.65 20.86 5.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.319 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -85.38 133.3 34.13 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.166 0.508 . . . . 0.0 110.281 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -9.5 54.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.013 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -125.33 67.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.15 147.23 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -107.39 93.0 9.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -43.84 117.68 1.29 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.784 2.323 . . . . 0.0 113.011 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 90.37 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.572 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 30' ' ' THR . . . -60.5 -164.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.335 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.439 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.1 m95 48.68 27.25 1.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.644 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.3 t 177.66 142.14 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.372 . . . . 0.0 110.967 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.18 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.89 -177.19 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -14.7 56.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.19 147.66 23.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 12.87 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -127.02 -17.48 4.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -100.27 145.18 28.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 155.28 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -94.74 104.49 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.84 165.8 11.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.175 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -70.25 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.797 0.332 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -86.21 147.47 26.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.07 -28.27 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -78.82 -41.66 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.32 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -63.01 -24.88 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.21 39.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.513 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m 61.26 73.45 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.039 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.1 -164.0 9.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.4 t -140.24 156.81 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.337 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 15' ' ' VAL . 67.4 m -107.51 100.35 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -106.66 163.85 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.74 138.51 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -15.33 62.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.07 23.63 13.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.7 0.286 . . . . 0.0 111.406 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.36 155.34 28.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.6 0.714 . . . . 0.0 110.718 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -16.37 18.51 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.247 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -122.35 65.88 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -136.47 124.3 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 mttt -99.18 87.22 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.343 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 10.6 Cg_endo -54.24 124.79 16.88 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.53 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 129.88 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.698 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.771 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.97 -171.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.162 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.3 m95 44.75 45.39 8.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.515 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 28' ' ' ALA . 6.5 t -178.09 144.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -126.12 163.53 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 177.7 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.4 -35.43 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.01 151.22 21.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.987 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 15.64 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.03 18.17 2.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.585 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.89 168.51 15.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 146.88 48.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -93.31 99.08 11.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.0 m -99.49 161.42 13.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.114 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -60.64 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.2 137.58 36.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.5 -29.51 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -31.63 22.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.633 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -57.81 -29.67 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 11.88 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m 56.79 75.89 0.33 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.79 0.329 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.38 -163.95 11.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.41 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.3 t -140.27 160.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.289 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 15' ' ' VAL . 68.9 m -115.29 105.06 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.66 159.21 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.01 136.57 57.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 3.9 ptmt -62.69 -16.39 57.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.365 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.28 19.05 14.95 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.26 154.23 24.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.514 0.674 . . . . 0.0 110.769 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -16.94 16.13 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.378 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -116.25 69.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.34 132.31 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.277 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -115.36 82.07 9.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.29 146.08 19.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.765 2.31 . . . . 0.0 112.558 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.813 ' SD ' HG21 ' A' ' 30' ' ' THR . 1.3 ptp -104.89 167.03 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.15 158.57 17.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.025 0.441 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.5 m95 43.81 73.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.47 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.813 HG21 ' SD ' ' A' ' 27' ' ' MET . 8.8 t -176.12 147.65 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 7' ' ' GLN . 22.6 p90 -137.74 152.11 48.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.97 158.71 15.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.86 -39.92 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.196 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.85 147.29 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 13.83 14.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.89 -18.37 6.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.962 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 4.5 tt0 -99.83 159.68 14.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.48 149.8 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.2 t -93.53 101.98 14.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.335 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.29 164.34 12.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.963 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.29 -55.12 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -78.19 145.05 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -67.61 -30.12 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -15.46 27.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.11 -32.0 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.787 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -103.45 -76.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.16 73.93 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.11 -172.43 12.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.194 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.32 159.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 111.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 15' ' ' VAL . 93.8 m -99.61 99.07 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -99.86 164.48 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.23 136.65 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 111.375 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 3.9 mttp -66.33 -14.23 61.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.462 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.96 18.89 17.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.6 152.62 22.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.512 0.672 . . . . 0.0 110.688 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -11.53 14.81 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.533 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -121.69 68.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -139.64 141.34 37.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.321 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -100.02 91.4 1.63 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.419 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.9 123.43 12.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.604 2.203 . . . . 0.0 112.56 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.2 tpp -106.58 129.74 54.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 30' ' ' THR . . . -76.12 -172.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.0 m95 44.58 38.94 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.89 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.2 t -179.52 143.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -138.95 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.796 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.1 t -103.0 159.07 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.001 0.429 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.77 -32.36 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.367 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.87 149.93 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.033 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.13 17.21 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.72 15.15 3.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -132.05 139.83 48.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.92 154.96 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.5 t -98.95 103.62 15.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.04 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.64 165.05 11.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.92 -67.28 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -91.78 144.28 25.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -66.71 -24.14 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -38.66 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.449 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -56.55 -29.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.92 -11.46 16.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.06 85.0 0.13 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.18 -153.73 6.19 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 16' ' ' CYS . 12.4 t -140.1 159.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.228 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 15' ' ' VAL . 36.0 m -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.682 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.58 159.31 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.64 132.3 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 12.1 pttt -55.34 -22.9 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.396 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 23.5 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.278 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -87.32 131.5 34.24 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -13.77 58.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.849 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -119.75 68.74 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -138.52 127.97 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -113.16 80.01 4.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 81.4 Cg_exo -44.71 151.75 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.838 2.359 . . . . 0.0 112.769 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.75 177.93 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.16 130.31 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.431 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 1.5 m95 47.63 79.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.613 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -167.31 144.81 4.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.54 165.65 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.724 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.38 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.21 -33.18 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.93 151.27 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 10.89 12.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.76 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -138.4 13.48 2.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -118.21 164.06 15.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -121.69 147.41 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.0 t -93.37 97.95 10.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.14 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 4.5 m -99.44 161.62 13.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.12 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.917 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -89.5 138.89 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.2 t -56.17 -26.83 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -15.2 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.96 -79.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t 172.57 70.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -168.84 11.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.224 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -140.38 149.36 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 26.2 m -101.39 100.09 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 7.7 mmt85 -111.07 172.38 6.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.283 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 135.76 50.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.049 0.452 . . . . 0.0 111.147 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.71 -15.72 61.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.328 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 14.2 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.449 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 154.82 19.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.406 0.622 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -12.02 14.54 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.583 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -111.55 55.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 127.65 11.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.13 94.08 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 127.32 16.08 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.507 2.138 . . . . 0.0 112.415 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -100.99 163.08 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.779 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.0 -168.91 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.2 m95 43.92 41.66 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.66 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 28' ' ' ALA . 13.0 t -171.15 150.55 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -134.0 169.91 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -172.97 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.67 -51.43 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.93 162.34 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.079 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -90.2 21.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.509 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.07 18.95 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.985 0.422 . . . . 0.0 110.527 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 2.1 tt0 -130.21 140.41 50.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.765 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.85 163.22 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.155 0.502 . . . . 0.0 111.118 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -110.3 92.83 4.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.507 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.0 152.15 21.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.82 -55.92 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.011 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -97.8 137.65 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 4.7 t -56.94 -26.97 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -38.04 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.527 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.11 -27.8 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.038 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.28 -9.19 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.586 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t 70.85 83.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.59 -162.2 9.36 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.205 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.8 t -140.28 157.65 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 111.689 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -98.57 99.03 10.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.111 179.384 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -107.68 153.99 22.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.364 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.31 127.84 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -21.69 43.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.211 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 19.21 8.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -88.41 130.46 35.17 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.206 0.527 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.86 -6.02 57.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.831 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -122.58 69.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.06 158.15 43.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.55 82.2 4.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -47.01 123.22 7.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.794 2.329 . . . . 0.0 112.775 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ttp -109.12 113.35 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.548 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.99 -172.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.226 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.3 m95 44.17 44.29 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.516 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' O ' ' A' ' 28' ' ' ALA . 4.0 t -178.35 141.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 42.0 p90 -117.77 160.75 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -176.39 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.42 -41.31 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.307 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.9 148.8 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 6.35 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.355 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.35 -21.93 7.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 4.1 tt0 -100.06 153.66 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 166.33 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 111.087 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -103.74 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.143 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 1.3 m -99.43 164.99 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.001 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.22 -64.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.855 0.36 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.27 139.97 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.04 -26.35 67.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -50.42 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.364 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -59.4 -22.67 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -99.91 7.24 45.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.419 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p 52.83 76.87 0.18 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 0.0 111.231 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.3 7.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.399 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 8.7 t -140.24 163.21 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 110.664 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 27.4 m -125.32 108.49 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.83 170.06 8.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.69 152.58 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.077 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -73.92 -23.74 59.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.267 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.0 23.88 9.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.569 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.99 153.24 32.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.607 0.717 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -12.85 15.67 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.626 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -124.01 66.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.27 146.87 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 93.41 10.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -43.94 113.73 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.723 2.282 . . . . 0.0 112.935 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.82 101.0 9.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.572 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' O ' HG22 ' A' ' 30' ' ' THR . . . -69.23 -172.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.416 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.1 m95 50.21 41.34 23.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.44 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.2 t -178.39 154.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -140.1 168.62 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.213 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -107.74 174.28 5.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -78.22 -31.05 49.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -93.45 148.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -90.24 21.97 3.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.396 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.61 16.79 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.719 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -133.56 139.19 46.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.633 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -101.83 147.79 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.8 101.59 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.202 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 m -99.87 166.85 10.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.119 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -69.03 -58.05 4.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.42 144.92 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -64.03 -28.46 69.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -35.37 26.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.8 t -56.63 -29.85 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -106.07 -9.34 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.376 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t 70.5 82.51 0.15 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.82 -160.16 8.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.98 149.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.244 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -102.79 98.89 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -111.95 159.07 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.6 140.81 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.134 0.492 . . . . 0.0 110.802 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.5 pttm -63.47 -16.25 60.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.512 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 24.24 12.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.756 0.313 . . . . 0.0 111.457 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 155.29 25.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.484 0.659 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -15.79 19.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.211 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -118.5 68.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -147.84 122.12 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -112.44 85.24 6.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.338 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -44.04 145.35 2.19 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.867 2.378 . . . . 0.0 112.788 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mmm -100.04 175.15 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.09 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.0 m95 47.78 78.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.67 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -167.96 147.51 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.877 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -136.39 156.66 48.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.95 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.18 -40.51 74.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.92 149.74 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 18.92 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.03 11.99 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.336 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -125.05 165.12 18.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.07 147.94 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.903 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.29 99.23 10.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.162 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.1 m -99.36 162.48 13.01 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.17 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -65.19 -67.08 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -86.67 133.39 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -27.77 46.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.648 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -56.15 -38.56 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -109.48 13.56 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.464 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 55.8 84.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.239 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.13 -158.52 10.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.223 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 t -140.15 139.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.348 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.41 98.77 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -119.81 161.97 19.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.99 133.91 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 111.204 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 5.6 pttt -57.78 -21.64 42.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.357 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.3 19.49 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.203 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -87.44 131.15 34.42 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.184 0.516 . . . . 0.0 110.619 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -5.15 55.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.817 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -115.88 54.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.58 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 87.98 11.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.41 113.33 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.617 2.211 . . . . 0.0 112.407 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.9 mtm -103.62 126.26 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.81 -166.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.61 38.23 3.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.9 t -177.53 146.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -137.73 166.91 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.2 t -106.6 159.29 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -31.22 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.19 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -90.14 146.21 24.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 12.04 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.355 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.78 -13.06 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.58 143.06 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pttt -99.96 163.89 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.529 . . . . 0.0 111.339 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -108.44 92.44 4.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 163.55 12.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.09 -67.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.26 26.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.21 -28.47 69.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -31.63 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.494 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -28.67 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.035 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.29 4.24 22.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.12 79.93 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.05 -162.6 9.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.3 t -140.1 157.29 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 15' ' ' VAL . 33.0 m -112.83 105.58 13.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.79 157.35 19.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.094 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 133.64 41.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -53.57 -24.05 12.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.515 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 13.95 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -90.19 133.61 34.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.199 0.524 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -14.02 50.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.631 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.61 41.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 0.0 110.688 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 43.2 t -136.21 116.13 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -104.64 99.48 18.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 78.3 Cg_exo -50.52 127.17 19.78 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.497 2.131 . . . . 0.0 112.632 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.51 138.41 46.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.31 -173.6 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 44.81 30.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.636 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.5 t -172.01 149.17 2.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.974 0.416 . . . . 0.0 111.195 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -137.24 172.49 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.492 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.81 160.25 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.83 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -89.78 152.13 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.933 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mtm-85 -90.09 12.97 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.592 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.49 -17.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -103.78 148.39 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -104.51 145.32 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.898 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -94.71 101.31 13.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.56 163.25 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.182 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.28 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.3 p90 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.84 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -58.18 136.98 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.17 -33.26 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.45 -19.22 26.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.646 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 21.3 t -63.68 -28.07 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.381 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' SER . 26.2 p80 -106.37 -58.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.666 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.4 m 151.9 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.45 0.3 . . . . 0.0 110.789 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.43 12.03 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 16' ' ' CYS . 19.3 t -140.3 159.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' N ' HG12 ' A' ' 15' ' ' VAL . 48.2 m -105.64 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 164.81 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.133 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.95 128.54 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -21.09 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 20.35 7.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.99 132.32 35.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.183 0.516 . . . . 0.0 110.315 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -10.87 54.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.831 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -118.4 71.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -144.18 148.21 34.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.8 88.96 8.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 84.6 Cg_exo -47.25 122.51 6.57 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.758 2.306 . . . . 0.0 112.827 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.55 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.628 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.813 ' O ' HG22 ' A' ' 30' ' ' THR . . . -67.15 -171.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.403 ' O ' ' HB ' ' A' ' 30' ' ' THR . 12.3 m95 43.4 55.05 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.665 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' ALA . 3.2 t 177.99 153.26 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.27 161.64 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.92 -176.29 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -83.33 -35.07 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -101.04 158.96 15.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 17.46 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.428 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.75 11.61 3.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.86 148.89 46.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.645 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 155.1 20.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.41 . . . . 0.0 111.072 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -98.57 104.59 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.149 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.62 163.6 12.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.08 -61.46 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.88 145.89 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.74 -26.39 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -37.87 16.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.477 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -57.21 -29.4 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -102.03 -10.63 19.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.02 82.57 0.15 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -154.66 6.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.15 149.59 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -117.65 106.91 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -112.43 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.98 140.48 48.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.92 61.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.437 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 17.92 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 151.24 21.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.588 0.709 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.57 11.59 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.696 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.45 47.75 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -108.41 97.43 22.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.4 124.86 11.27 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.536 2.157 . . . . 0.0 112.613 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.8 121.71 45.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.68 -169.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.32 39.97 4.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.459 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 28' ' ' ALA . 9.3 t -176.53 148.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.08 -179.15 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -177.16 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.798 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -37.06 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.98 145.89 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -90.32 23.96 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.47 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -137.72 16.16 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.661 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.88 137.71 46.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.664 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 141.72 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.982 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -93.36 102.09 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.417 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 166.52 10.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -59.65 -71.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.747 0.308 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.32 -57.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -144.17 -159.84 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.49 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.56 45.82 1.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.6 mtt -64.83 174.59 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -119.38 -176.18 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -85.09 141.64 30.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 t -63.1 -27.05 69.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.48 -14.3 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.866 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 38.9 t -67.47 -34.39 77.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.38 -76.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 171.09 75.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.13 -171.23 12.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.6 t -140.31 161.47 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.737 0.303 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' HG12 ' A' ' 15' ' ' VAL . 56.3 m -112.63 103.12 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.678 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.77 170.09 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.97 137.37 55.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -15.02 62.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.401 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.16 21.25 12.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.664 0.269 . . . . 0.0 111.449 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 155.06 24.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.536 0.684 . . . . 0.0 110.732 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -14.69 16.05 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.399 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.26 64.6 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.04 123.61 26.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -97.88 95.78 2.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.435 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.3 129.88 28.41 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.481 2.121 . . . . 0.0 112.524 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.4 mtp -110.22 147.96 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.838 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.89 -169.45 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.1 35.76 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.496 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -177.98 146.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -138.52 171.34 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 t -99.97 163.35 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -79.84 -26.94 40.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.41 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -89.86 149.64 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 14.97 11.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -139.31 16.14 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.21 143.12 48.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 148.17 27.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.08 101.04 13.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.68 165.58 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.005 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -51.93 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.6 tt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -149.21 72.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 40.7 p90 -145.27 119.18 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.08 50.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.84 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.0 mtt -83.61 178.93 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.999 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -121.39 -172.84 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -94.38 134.14 37.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.168 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 t -57.52 -21.81 40.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -18.49 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -63.03 -40.02 96.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.739 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 t 168.29 88.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.02 -166.1 10.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.17 159.19 25.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.889 0.376 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 15' ' ' VAL . 75.4 m -114.75 103.88 11.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.48 162.14 15.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 134.04 51.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.439 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -16.95 50.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.383 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.26 17.85 9.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.665 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.78 19.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.455 0.645 . . . . 0.0 110.714 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.82 14.89 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -112.84 71.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -146.6 143.95 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -111.68 88.77 9.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.48 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.55 130.26 17.9 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.732 2.288 . . . . 0.0 112.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 ttm -118.72 108.67 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . . . -62.89 -173.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.2 m95 50.22 34.74 9.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.62 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' MET . 13.9 t -174.04 148.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.183 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.04 161.19 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.04 159.46 15.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.039 0.447 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -58.8 -27.51 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.495 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -89.84 134.83 33.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -80.52 0.97 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.549 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -118.87 -15.31 9.39 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.84 148.51 24.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.03 155.64 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -99.88 104.55 16.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.095 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.67 165.47 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -61.58 -66.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.924 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -139.27 96.49 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.96 100.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.75 74.9 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.25 164.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -150.06 -173.84 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.9 148.03 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -66.22 -30.01 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.54 28.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.589 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -65.34 -25.87 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 10.26 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.493 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.1 t 56.82 72.5 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 -164.42 9.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.32 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.3 t -140.32 159.41 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 89.8 m -112.53 103.92 12.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.88 166.21 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.74 133.65 48.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.28 -21.61 24.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.39 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.13 21.87 5.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.387 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -88.11 132.29 34.37 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 121.225 0.536 . . . . 0.0 110.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -10.23 55.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.926 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.75 68.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.62 142.2 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -107.35 96.21 15.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.64 119.25 2.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.769 2.313 . . . . 0.0 112.787 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 115.9 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.675 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 30' ' ' THR . . . -75.08 -177.25 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.248 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.0 m95 40.85 52.0 3.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.705 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 28' ' ' ALA . 7.7 t -176.22 144.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -127.39 159.51 34.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.585 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.77 174.34 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.993 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.94 -40.85 53.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 152.67 21.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.24 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -137.91 13.84 2.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -127.48 148.09 50.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.731 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 148.42 26.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 103.32 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.252 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.9 m -99.61 163.6 12.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.135 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.89 -51.03 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.864 0.364 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 6.2 t80 -146.81 75.91 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 6.7 m-85 -167.06 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.81 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -147.32 81.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.41 -170.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -149.22 -176.16 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -100.48 139.13 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.08 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.1 -29.93 65.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -40.15 13.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 47.4 t -58.03 -28.31 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 14.18 31.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 p 53.13 71.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.862 0.363 . . . . 0.0 111.225 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.14 -164.67 11.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.351 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 16' ' ' CYS . 2.5 t -140.37 168.28 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.552 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' H ' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -131.32 115.41 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.139 0.495 . . . . 0.0 110.779 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.52 175.46 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.894 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.29 152.3 29.57 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.149 0.499 . . . . 0.0 110.692 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -84.56 6.56 23.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.477 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.46 16.47 12.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.234 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 154.58 21.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.431 0.634 . . . . 0.0 110.804 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -14.13 15.32 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.563 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -111.78 71.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.044 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.07 145.23 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 90.42 10.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.689 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.66 130.6 15.28 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.668 2.245 . . . . 0.0 112.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.8 mmm -118.36 104.18 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 30' ' ' THR . . . -66.67 -167.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.3 m95 45.59 48.7 11.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.475 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.1 t -178.98 150.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -127.96 152.63 47.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.95 -170.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -99.97 -29.95 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.94 140.0 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 16.64 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.531 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.0 16.37 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 151.08 52.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.691 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.93 149.77 23.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.816 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.52 106.78 19.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.97 167.8 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.28 -70.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.68 85.33 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -150.25 104.25 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -162.63 103.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 mtt -105.57 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -123.44 -168.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -92.46 145.42 24.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -73.68 -27.17 61.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -30.52 18.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 28.9 t -55.27 -31.69 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -111.15 13.0 21.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.434 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.22 82.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.77 -152.26 7.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.4 t -139.96 162.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.618 0.247 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' HG12 ' A' ' 15' ' ' VAL . 92.6 m -132.27 113.09 12.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.25 136.4 53.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -14.47 60.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.567 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 15.55 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.13 155.31 19.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.516 0.674 . . . . 0.0 110.769 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.98 -13.24 14.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.535 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -114.33 71.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.921 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.48 145.48 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.09 90.81 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.28 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.97 116.59 3.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.75 2.3 . . . . 0.0 112.653 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ttt -107.87 116.82 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.35 -175.54 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.275 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.8 m95 44.34 46.35 7.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.702 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -179.05 142.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.202 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -140.24 169.43 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.7 -178.52 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -27.38 56.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.84 146.72 24.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 19.04 5.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.47 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.09 16.84 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.82 142.63 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -103.59 148.15 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.777 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -94.2 106.59 18.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.054 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 m -99.61 164.15 12.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.173 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -73.23 -66.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.955 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -137.65 -46.98 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 4' ' ' PHE . 28.9 p90 -115.86 51.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.86 40.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.6 mtt -149.61 170.37 18.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -124.52 -178.35 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -90.08 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.0 t -52.07 -27.57 14.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -31.41 19.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -58.02 -30.89 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.003 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 9.03 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 57.14 81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.1 -164.04 10.72 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.261 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.27 129.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 10.7 m -97.87 101.35 12.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.445 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.93 158.94 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.188 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.5 p-10 -55.24 138.95 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -60.18 -18.88 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.426 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.36 16.65 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.614 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.25 156.89 17.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.508 0.67 . . . . 0.0 110.668 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.79 -10.35 20.85 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.276 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -119.63 68.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 49.6 t -150.16 102.89 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 mttp -94.44 95.92 1.63 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 19.1 Cg_endo -58.23 129.97 35.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.508 2.139 . . . . 0.0 112.552 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.05 167.17 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.624 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.05 175.66 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.7 m95 41.29 54.08 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.827 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -177.94 144.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -140.23 179.94 6.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.46 177.12 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -81.78 -37.49 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -91.6 145.93 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 21.17 3.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.497 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -125.43 -21.51 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -99.87 155.6 17.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.791 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -114.99 141.65 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -92.58 101.49 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -105.41 164.78 11.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.824 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -48.19 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.12 95.58 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.73 17.24 13.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.26 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 51.99 71.8 0.43 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.9 -173.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -149.88 -173.91 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -94.5 143.53 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.22 -23.55 36.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.449 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.65 -32.62 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.565 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -30.5 67.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -108.56 -2.65 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.39 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 m 64.13 87.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.21 -148.46 5.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 16' ' ' CYS . 13.2 t -140.02 160.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.715 0.293 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' N ' HG12 ' A' ' 15' ' ' VAL . 18.2 m -124.23 107.78 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 173.06 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.05 132.07 44.57 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -16.23 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.08 14.38 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.554 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.78 155.13 19.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.514 0.673 . . . . 0.0 110.737 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -13.98 15.34 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.36 70.26 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.08 136.78 24.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -98.96 91.94 1.49 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.427 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 120.26 7.96 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.535 2.157 . . . . 0.0 112.492 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -100.95 124.72 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.647 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.99 -170.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.2 m95 45.14 33.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.563 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.2 t -177.43 146.67 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -140.08 175.89 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 t -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.811 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.46 -27.83 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.84 149.77 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.963 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -86.96 14.15 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.66 16.06 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.53 135.9 44.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.773 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 152.43 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.4 t -92.72 103.78 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.288 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.71 165.81 11.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.129 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -65.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 1' ' ' ILE . 3.9 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.582 0.229 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -129.04 -50.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -101.51 54.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -105.55 39.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.24 -167.97 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -130.09 175.49 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -88.14 136.02 33.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.36 -25.61 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -38.08 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.18 -28.56 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.35 -1.04 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.528 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.5 81.96 0.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -149.27 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 16' ' ' CYS . 16.4 t -140.03 160.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 15' ' ' VAL . 74.5 m -125.97 108.93 11.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.492 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -118.27 163.14 17.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.06 132.86 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -55.51 -22.04 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.488 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.65 20.86 5.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.319 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -85.38 133.3 34.13 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.166 0.508 . . . . 0.0 110.281 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -9.5 54.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.013 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -125.33 67.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.15 147.23 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -107.39 93.0 9.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -43.84 117.68 1.29 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.784 2.323 . . . . 0.0 113.011 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 90.37 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.572 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 30' ' ' THR . . . -60.5 -164.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.335 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.439 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.1 m95 48.68 27.25 1.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.644 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.3 t 177.66 142.14 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.372 . . . . 0.0 110.967 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.18 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.89 -177.19 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -14.7 56.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.19 147.66 23.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 12.87 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -127.02 -17.48 4.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -100.27 145.18 28.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 155.28 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -94.74 104.49 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.84 165.8 11.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.175 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -70.25 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -120.65 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -133.64 114.47 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.38 42.93 1.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -80.75 157.9 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -149.95 -174.02 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -86.21 147.47 26.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.07 -28.27 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -78.82 -41.66 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.32 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -63.01 -24.88 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.21 39.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.513 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m 61.26 73.45 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.039 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.1 -164.0 9.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.4 t -140.24 156.81 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.337 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 15' ' ' VAL . 67.4 m -107.51 100.35 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -106.66 163.85 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.74 138.51 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -15.33 62.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.07 23.63 13.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.7 0.286 . . . . 0.0 111.406 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.36 155.34 28.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.6 0.714 . . . . 0.0 110.718 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -16.37 18.51 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.247 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -122.35 65.88 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -136.47 124.3 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 mttt -99.18 87.22 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.343 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 10.6 Cg_endo -54.24 124.79 16.88 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.53 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 129.88 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.698 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.771 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.97 -171.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.162 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.3 m95 44.75 45.39 8.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.515 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 28' ' ' ALA . 6.5 t -178.09 144.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -126.12 163.53 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 177.7 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.4 -35.43 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.01 151.22 21.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.987 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 15.64 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.03 18.17 2.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.585 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.89 168.51 15.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 146.88 48.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -93.31 99.08 11.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.0 m -99.49 161.42 13.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.114 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -60.64 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.85 -44.96 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.12 85.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.95 81.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.9 mtt -134.85 -174.05 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -132.79 178.48 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.2 137.58 36.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.5 -29.51 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -31.63 22.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.633 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -57.81 -29.67 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 11.88 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m 56.79 75.89 0.33 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.79 0.329 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.38 -163.95 11.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.41 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.3 t -140.27 160.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.289 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 15' ' ' VAL . 68.9 m -115.29 105.06 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.66 159.21 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.01 136.57 57.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 3.9 ptmt -62.69 -16.39 57.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.365 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.28 19.05 14.95 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.26 154.23 24.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.514 0.674 . . . . 0.0 110.769 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -16.94 16.13 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.378 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -116.25 69.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.34 132.31 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.277 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -115.36 82.07 9.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.29 146.08 19.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.765 2.31 . . . . 0.0 112.558 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.813 ' SD ' HG21 ' A' ' 30' ' ' THR . 1.3 ptp -104.89 167.03 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.15 158.57 17.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.025 0.441 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.5 m95 43.81 73.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.47 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.813 HG21 ' SD ' ' A' ' 27' ' ' MET . 8.8 t -176.12 147.65 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 7' ' ' GLN . 22.6 p90 -137.74 152.11 48.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.97 158.71 15.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.86 -39.92 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.196 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.85 147.29 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 13.83 14.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.89 -18.37 6.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.962 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 4.5 tt0 -99.83 159.68 14.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.48 149.8 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.2 t -93.53 101.98 14.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.335 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.29 164.34 12.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.963 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.29 -55.12 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.781 0.325 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -115.29 94.49 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.78 67.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.5 mtt -95.95 -178.4 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -133.71 179.14 6.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -78.19 145.05 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -67.61 -30.12 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -15.46 27.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.11 -32.0 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.787 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -103.45 -76.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.16 73.93 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.11 -172.43 12.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.194 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.32 159.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 111.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 15' ' ' VAL . 93.8 m -99.61 99.07 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -99.86 164.48 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.23 136.65 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 111.375 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 3.9 mttp -66.33 -14.23 61.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.462 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.96 18.89 17.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.6 152.62 22.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.512 0.672 . . . . 0.0 110.688 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -11.53 14.81 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.533 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -121.69 68.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -139.64 141.34 37.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.321 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -100.02 91.4 1.63 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.419 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.9 123.43 12.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.604 2.203 . . . . 0.0 112.56 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.2 tpp -106.58 129.74 54.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 30' ' ' THR . . . -76.12 -172.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.0 m95 44.58 38.94 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.89 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.2 t -179.52 143.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -138.95 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.796 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.1 t -103.0 159.07 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.001 0.429 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.77 -32.36 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.367 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.87 149.93 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.033 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.13 17.21 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.72 15.15 3.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -132.05 139.83 48.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.92 154.96 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.5 t -98.95 103.62 15.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.04 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.64 165.05 11.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.92 -67.28 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.765 0.317 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.7 -67.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -132.7 68.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.66 99.09 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mtm 48.75 -173.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.9 -172.42 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -91.78 144.28 25.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -66.71 -24.14 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -38.66 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.449 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -56.55 -29.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.92 -11.46 16.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.06 85.0 0.13 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.18 -153.73 6.19 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 16' ' ' CYS . 12.4 t -140.1 159.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.228 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 15' ' ' VAL . 36.0 m -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.682 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.58 159.31 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.64 132.3 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 12.1 pttt -55.34 -22.9 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.396 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 23.5 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.278 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -87.32 131.5 34.24 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -13.77 58.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.849 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -119.75 68.74 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -138.52 127.97 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -113.16 80.01 4.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 81.4 Cg_exo -44.71 151.75 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.838 2.359 . . . . 0.0 112.769 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.75 177.93 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.16 130.31 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.431 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 1.5 m95 47.63 79.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.613 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -167.31 144.81 4.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.54 165.65 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.724 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.38 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.21 -33.18 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.93 151.27 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 10.89 12.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.76 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -138.4 13.48 2.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -118.21 164.06 15.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -121.69 147.41 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.0 t -93.37 97.95 10.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.14 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 4.5 m -99.44 161.62 13.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.12 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.917 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.75 0.309 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.71 -43.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.11 128.1 16.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.79 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.59 55.93 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.4 mtm -132.2 -175.59 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -114.85 174.27 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -89.5 138.89 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.2 t -56.17 -26.83 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -15.2 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.96 -79.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t 172.57 70.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -168.84 11.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.224 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -140.38 149.36 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 26.2 m -101.39 100.09 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 7.7 mmt85 -111.07 172.38 6.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.283 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 135.76 50.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.049 0.452 . . . . 0.0 111.147 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.71 -15.72 61.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.328 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 14.2 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.449 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 154.82 19.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.406 0.622 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -12.02 14.54 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.583 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -111.55 55.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 127.65 11.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.13 94.08 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 127.32 16.08 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.507 2.138 . . . . 0.0 112.415 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -100.99 163.08 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.779 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.0 -168.91 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.2 m95 43.92 41.66 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.66 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 28' ' ' ALA . 13.0 t -171.15 150.55 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -134.0 169.91 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -172.97 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.67 -51.43 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.93 162.34 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.079 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -90.2 21.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.509 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.07 18.95 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.985 0.422 . . . . 0.0 110.527 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 2.1 tt0 -130.21 140.41 50.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.765 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.85 163.22 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.155 0.502 . . . . 0.0 111.118 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -110.3 92.83 4.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.507 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.0 152.15 21.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.82 -55.92 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.011 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.917 0.389 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.75 -4.45 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.328 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 62.83 108.7 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.01 58.79 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 29.5 mtm -124.86 -176.83 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -112.6 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -97.8 137.65 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 4.7 t -56.94 -26.97 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -38.04 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.527 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.11 -27.8 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.038 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.28 -9.19 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.586 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t 70.85 83.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.59 -162.2 9.36 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.205 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.8 t -140.28 157.65 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 111.689 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -98.57 99.03 10.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.111 179.384 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -107.68 153.99 22.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.364 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.31 127.84 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -21.69 43.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.211 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 19.21 8.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -88.41 130.46 35.17 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.206 0.527 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.86 -6.02 57.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.831 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -122.58 69.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.06 158.15 43.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.55 82.2 4.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -47.01 123.22 7.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.794 2.329 . . . . 0.0 112.775 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ttp -109.12 113.35 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.548 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.99 -172.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.226 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.3 m95 44.17 44.29 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.516 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' O ' ' A' ' 28' ' ' ALA . 4.0 t -178.35 141.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 42.0 p90 -117.77 160.75 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -176.39 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.42 -41.31 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.307 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.9 148.8 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 6.35 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.355 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.35 -21.93 7.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 4.1 tt0 -100.06 153.66 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 166.33 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 111.087 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -103.74 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.143 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 1.3 m -99.43 164.99 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.001 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.22 -64.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -126.72 31.36 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -172.6 96.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -176.56 74.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.5 mtt -72.51 -171.81 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -141.97 -177.24 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.27 139.97 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.04 -26.35 67.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -50.42 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.364 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -59.4 -22.67 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -99.91 7.24 45.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.419 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p 52.83 76.87 0.18 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 0.0 111.231 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.3 7.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.399 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 8.7 t -140.24 163.21 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 110.664 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 27.4 m -125.32 108.49 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.83 170.06 8.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.69 152.58 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.077 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -73.92 -23.74 59.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.267 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.0 23.88 9.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.569 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.99 153.24 32.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.607 0.717 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -12.85 15.67 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.626 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -124.01 66.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.27 146.87 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 93.41 10.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -43.94 113.73 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.723 2.282 . . . . 0.0 112.935 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.82 101.0 9.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.572 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' O ' HG22 ' A' ' 30' ' ' THR . . . -69.23 -172.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.1 m95 50.21 41.34 23.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.44 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.2 t -178.39 154.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -140.1 168.62 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.213 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -107.74 174.28 5.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -78.22 -31.05 49.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -93.45 148.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -90.24 21.97 3.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.396 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.61 16.79 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.719 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -133.56 139.19 46.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.633 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -101.83 147.79 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.8 101.59 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.202 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 m -99.87 166.85 10.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.119 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -69.03 -58.05 4.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.616 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.887 0.375 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.81 -55.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -162.55 111.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -105.54 49.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.34 178.23 4.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -130.84 -179.71 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.42 144.92 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -64.03 -28.46 69.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -35.37 26.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.8 t -56.63 -29.85 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -106.07 -9.34 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.376 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t 70.5 82.51 0.15 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.82 -160.16 8.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.98 149.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.244 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -102.79 98.89 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -111.95 159.07 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.6 140.81 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.134 0.492 . . . . 0.0 110.802 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.5 pttm -63.47 -16.25 60.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.512 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 24.24 12.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.756 0.313 . . . . 0.0 111.457 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 155.29 25.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.484 0.659 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -15.79 19.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.211 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -118.5 68.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -147.84 122.12 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -112.44 85.24 6.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.338 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -44.04 145.35 2.19 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.867 2.378 . . . . 0.0 112.788 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mmm -100.04 175.15 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.09 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.0 m95 47.78 78.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.67 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -167.96 147.51 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.877 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -136.39 156.66 48.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.95 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.18 -40.51 74.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.92 149.74 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 18.92 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.03 11.99 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.336 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -125.05 165.12 18.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.07 147.94 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.903 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.29 99.23 10.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.162 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.1 m -99.36 162.48 13.01 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.17 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -65.19 -67.08 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.3 pt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -99.51 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -164.74 32.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 60.63 85.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.9 mtp -92.08 161.97 14.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -111.75 -174.5 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -86.67 133.39 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -27.77 46.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.648 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -56.15 -38.56 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -109.48 13.56 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.464 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 55.8 84.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.239 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.13 -158.52 10.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.223 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 t -140.15 139.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.348 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.41 98.77 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -119.81 161.97 19.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.99 133.91 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 111.204 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 5.6 pttt -57.78 -21.64 42.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.357 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.3 19.49 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.203 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -87.44 131.15 34.42 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.184 0.516 . . . . 0.0 110.619 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -5.15 55.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.817 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -115.88 54.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.58 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 87.98 11.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.41 113.33 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.617 2.211 . . . . 0.0 112.407 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.9 mtm -103.62 126.26 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.81 -166.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.61 38.23 3.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.9 t -177.53 146.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -137.73 166.91 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.2 t -106.6 159.29 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -31.22 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.19 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -90.14 146.21 24.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 12.04 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.355 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.78 -13.06 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.58 143.06 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pttt -99.96 163.89 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.529 . . . . 0.0 111.339 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -108.44 92.44 4.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 163.55 12.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.09 -67.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.788 0.327 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.46 -52.98 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.04 99.3 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -103.92 79.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 mtt 49.78 -175.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.323 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -145.09 -173.34 4.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.26 26.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.21 -28.47 69.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -31.63 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.494 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -28.67 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.035 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.29 4.24 22.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.12 79.93 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.05 -162.6 9.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.3 t -140.1 157.29 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 15' ' ' VAL . 33.0 m -112.83 105.58 13.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.79 157.35 19.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.094 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 133.64 41.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -53.57 -24.05 12.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.515 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 13.95 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -90.19 133.61 34.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.199 0.524 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -14.02 50.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.631 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.61 41.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 0.0 110.688 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 43.2 t -136.21 116.13 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -104.64 99.48 18.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 78.3 Cg_exo -50.52 127.17 19.78 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.497 2.131 . . . . 0.0 112.632 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.51 138.41 46.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.31 -173.6 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 44.81 30.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.636 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.5 t -172.01 149.17 2.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.974 0.416 . . . . 0.0 111.195 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -137.24 172.49 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.492 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.81 160.25 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.83 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -89.78 152.13 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.933 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mtm-85 -90.09 12.97 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.592 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.49 -17.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -103.78 148.39 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -104.51 145.32 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.898 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -94.71 101.31 13.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.56 163.25 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.182 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.28 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.3 p90 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.84 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.829 0.347 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -98.57 -35.39 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -65.42 90.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.13 74.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.6 mtt -90.46 -176.95 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -147.93 146.17 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -58.18 136.98 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.17 -33.26 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.45 -19.22 26.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.646 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 21.3 t -63.68 -28.07 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.381 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' SER . 26.2 p80 -106.37 -58.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.666 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.4 m 151.9 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.45 0.3 . . . . 0.0 110.789 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.43 12.03 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 16' ' ' CYS . 19.3 t -140.3 159.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' N ' HG12 ' A' ' 15' ' ' VAL . 48.2 m -105.64 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 164.81 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.133 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.95 128.54 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -21.09 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 20.35 7.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.99 132.32 35.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.183 0.516 . . . . 0.0 110.315 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -10.87 54.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.831 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -118.4 71.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -144.18 148.21 34.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.8 88.96 8.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 84.6 Cg_exo -47.25 122.51 6.57 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.758 2.306 . . . . 0.0 112.827 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.55 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.628 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.813 ' O ' HG22 ' A' ' 30' ' ' THR . . . -67.15 -171.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.403 ' O ' ' HB ' ' A' ' 30' ' ' THR . 12.3 m95 43.4 55.05 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.665 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' ALA . 3.2 t 177.99 153.26 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.27 161.64 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.92 -176.29 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -83.33 -35.07 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -101.04 158.96 15.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 17.46 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.428 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.75 11.61 3.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.86 148.89 46.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.645 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 155.1 20.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.41 . . . . 0.0 111.072 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -98.57 104.59 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.149 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.62 163.6 12.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.08 -61.46 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.76 -48.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.24 63.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.8 177.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.228 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -148.71 -174.63 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.88 145.89 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.74 -26.39 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -37.87 16.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.477 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -57.21 -29.4 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -102.03 -10.63 19.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.02 82.57 0.15 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -154.66 6.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.15 149.59 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -117.65 106.91 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -112.43 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.98 140.48 48.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.92 61.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.437 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 17.92 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 151.24 21.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.588 0.709 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.57 11.59 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.696 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.45 47.75 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -108.41 97.43 22.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.4 124.86 11.27 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.536 2.157 . . . . 0.0 112.613 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.8 121.71 45.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.68 -169.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.32 39.97 4.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.459 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 28' ' ' ALA . 9.3 t -176.53 148.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.08 -179.15 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -177.16 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.798 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -37.06 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.98 145.89 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -90.32 23.96 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.47 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -137.72 16.16 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.661 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.88 137.71 46.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.664 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 141.72 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.982 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -93.36 102.09 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.417 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 166.52 10.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -59.65 -71.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -85.09 141.64 30.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 t -63.1 -27.05 69.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.48 -14.3 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.866 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 38.9 t -67.47 -34.39 77.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.38 -76.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 171.09 75.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.13 -171.23 12.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.6 t -140.31 161.47 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.737 0.303 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' HG12 ' A' ' 15' ' ' VAL . 56.3 m -112.63 103.12 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.678 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.77 170.09 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.97 137.37 55.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -15.02 62.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.401 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.16 21.25 12.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.664 0.269 . . . . 0.0 111.449 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 155.06 24.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.536 0.684 . . . . 0.0 110.732 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -14.69 16.05 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.399 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.26 64.6 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.04 123.61 26.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -97.88 95.78 2.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.435 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.3 129.88 28.41 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.481 2.121 . . . . 0.0 112.524 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.4 mtp -110.22 147.96 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.838 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.89 -169.45 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.1 35.76 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.496 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -177.98 146.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -138.52 171.34 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 t -99.97 163.35 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -79.84 -26.94 40.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.41 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -89.86 149.64 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 14.97 11.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -139.31 16.14 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.21 143.12 48.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 148.17 27.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.08 101.04 13.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.68 165.58 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.005 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -51.93 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.772 0.32 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -94.38 134.14 37.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.168 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 t -57.52 -21.81 40.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -18.49 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -63.03 -40.02 96.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.739 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 t 168.29 88.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.02 -166.1 10.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.17 159.19 25.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.889 0.376 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 15' ' ' VAL . 75.4 m -114.75 103.88 11.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.48 162.14 15.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 134.04 51.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.439 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -16.95 50.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.383 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.26 17.85 9.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.665 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.78 19.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.455 0.645 . . . . 0.0 110.714 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.82 14.89 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -112.84 71.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -146.6 143.95 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -111.68 88.77 9.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.48 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.55 130.26 17.9 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.732 2.288 . . . . 0.0 112.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 ttm -118.72 108.67 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . . . -62.89 -173.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.2 m95 50.22 34.74 9.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.62 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' MET . 13.9 t -174.04 148.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.183 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.04 161.19 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.04 159.46 15.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.039 0.447 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -58.8 -27.51 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.495 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -89.84 134.83 33.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -80.52 0.97 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.549 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -118.87 -15.31 9.39 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.84 148.51 24.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.03 155.64 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -99.88 104.55 16.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.095 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.67 165.47 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -61.58 -66.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.924 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.9 148.03 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -66.22 -30.01 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.54 28.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.589 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -65.34 -25.87 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 10.26 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.493 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.1 t 56.82 72.5 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 -164.42 9.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.32 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.3 t -140.32 159.41 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 89.8 m -112.53 103.92 12.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.88 166.21 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.74 133.65 48.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.28 -21.61 24.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.39 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.13 21.87 5.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.387 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -88.11 132.29 34.37 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 121.225 0.536 . . . . 0.0 110.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -10.23 55.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.926 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.75 68.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.62 142.2 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -107.35 96.21 15.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.64 119.25 2.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.769 2.313 . . . . 0.0 112.787 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 115.9 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.675 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 30' ' ' THR . . . -75.08 -177.25 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.248 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.0 m95 40.85 52.0 3.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.705 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 28' ' ' ALA . 7.7 t -176.22 144.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -127.39 159.51 34.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.585 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.77 174.34 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.993 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.94 -40.85 53.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 152.67 21.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.24 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -137.91 13.84 2.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -127.48 148.09 50.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.731 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 148.42 26.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 103.32 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.252 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.9 m -99.61 163.6 12.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.135 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.89 -51.03 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.691 0.282 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -100.48 139.13 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.08 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.1 -29.93 65.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -40.15 13.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 47.4 t -58.03 -28.31 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.95 14.18 31.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 p 53.13 71.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.862 0.363 . . . . 0.0 111.225 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.14 -164.67 11.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.351 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 16' ' ' CYS . 2.5 t -140.37 168.28 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.552 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.518 ' H ' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -131.32 115.41 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.139 0.495 . . . . 0.0 110.779 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.52 175.46 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.894 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.29 152.3 29.57 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.149 0.499 . . . . 0.0 110.692 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -84.56 6.56 23.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.477 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.46 16.47 12.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.234 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 154.58 21.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.431 0.634 . . . . 0.0 110.804 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -14.13 15.32 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.563 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -111.78 71.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.044 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.07 145.23 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 90.42 10.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.689 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.66 130.6 15.28 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.668 2.245 . . . . 0.0 112.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.8 mmm -118.36 104.18 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 30' ' ' THR . . . -66.67 -167.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.3 m95 45.59 48.7 11.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.475 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.1 t -178.98 150.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -127.96 152.63 47.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.95 -170.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -99.97 -29.95 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.94 140.0 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 16.64 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.531 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.0 16.37 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 151.08 52.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.691 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.93 149.77 23.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.816 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.52 106.78 19.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.97 167.8 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.28 -70.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.317 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -92.46 145.42 24.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -73.68 -27.17 61.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -30.52 18.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 28.9 t -55.27 -31.69 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -111.15 13.0 21.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.434 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.22 82.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.77 -152.26 7.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.4 t -139.96 162.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.618 0.247 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' HG12 ' A' ' 15' ' ' VAL . 92.6 m -132.27 113.09 12.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.25 136.4 53.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -14.47 60.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.567 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 15.55 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.13 155.31 19.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.516 0.674 . . . . 0.0 110.769 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.98 -13.24 14.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.535 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -114.33 71.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.921 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.48 145.48 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.09 90.81 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.28 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.97 116.59 3.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.75 2.3 . . . . 0.0 112.653 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ttt -107.87 116.82 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.35 -175.54 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.275 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.8 m95 44.34 46.35 7.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.702 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -179.05 142.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.202 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -140.24 169.43 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.7 -178.52 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -27.38 56.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.84 146.72 24.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 19.04 5.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.47 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.09 16.84 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.82 142.63 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -103.59 148.15 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.777 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -94.2 106.59 18.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.054 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 m -99.61 164.15 12.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.173 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -73.23 -66.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.955 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -90.08 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.0 t -52.07 -27.57 14.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -31.41 19.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -58.02 -30.89 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.003 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 9.03 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 57.14 81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.1 -164.04 10.72 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.261 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.27 129.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 10.7 m -97.87 101.35 12.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.445 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.93 158.94 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.188 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.5 p-10 -55.24 138.95 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -60.18 -18.88 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.426 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.36 16.65 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.614 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.25 156.89 17.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.508 0.67 . . . . 0.0 110.668 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.79 -10.35 20.85 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.276 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -119.63 68.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 49.6 t -150.16 102.89 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 mttp -94.44 95.92 1.63 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 19.1 Cg_endo -58.23 129.97 35.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.508 2.139 . . . . 0.0 112.552 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.05 167.17 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.624 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.05 175.66 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.7 m95 41.29 54.08 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.827 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -177.94 144.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -140.23 179.94 6.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.46 177.12 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -81.78 -37.49 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -91.6 145.93 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 21.17 3.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.497 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.43 -21.51 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -99.87 155.6 17.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.791 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -114.99 141.65 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -92.58 101.49 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -105.41 164.78 11.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.824 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -48.19 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -94.5 143.53 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.22 -23.55 36.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.449 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.65 -32.62 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.565 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -30.5 67.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -108.56 -2.65 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.39 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 m 64.13 87.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.21 -148.46 5.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 16' ' ' CYS . 13.2 t -140.02 160.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.715 0.293 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' N ' HG12 ' A' ' 15' ' ' VAL . 18.2 m -124.23 107.78 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 173.06 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.05 132.07 44.57 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -16.23 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.08 14.38 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.554 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.78 155.13 19.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.514 0.673 . . . . 0.0 110.737 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -13.98 15.34 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.36 70.26 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.08 136.78 24.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -98.96 91.94 1.49 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.427 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 120.26 7.96 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.535 2.157 . . . . 0.0 112.492 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -100.95 124.72 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.647 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.99 -170.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.2 m95 45.14 33.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.563 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.2 t -177.43 146.67 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -140.08 175.89 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 t -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.811 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.46 -27.83 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.84 149.77 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.963 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -86.96 14.15 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.66 16.06 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.53 135.9 44.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.773 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 152.43 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.4 t -92.72 103.78 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.288 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.71 165.81 11.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.129 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -65.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -88.14 136.02 33.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.36 -25.61 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -38.08 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.18 -28.56 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.35 -1.04 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.528 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.5 81.96 0.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -149.27 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 16' ' ' CYS . 16.4 t -140.03 160.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 15' ' ' VAL . 74.5 m -125.97 108.93 11.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.492 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -118.27 163.14 17.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.06 132.86 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -55.51 -22.04 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.488 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.65 20.86 5.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.319 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -85.38 133.3 34.13 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.166 0.508 . . . . 0.0 110.281 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -9.5 54.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.013 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -125.33 67.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.15 147.23 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -107.39 93.0 9.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -43.84 117.68 1.29 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.784 2.323 . . . . 0.0 113.011 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 90.37 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.572 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 30' ' ' THR . . . -60.5 -164.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.335 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.439 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.1 m95 48.68 27.25 1.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.644 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.3 t 177.66 142.14 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.372 . . . . 0.0 110.967 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.18 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.89 -177.19 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -14.7 56.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.19 147.66 23.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 12.87 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -127.02 -17.48 4.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -100.27 145.18 28.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 155.28 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -94.74 104.49 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.84 165.8 11.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.175 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -70.25 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.797 0.332 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -86.21 147.47 26.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.07 -28.27 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -78.82 -41.66 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.32 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -63.01 -24.88 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.21 39.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.513 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m 61.26 73.45 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.039 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.1 -164.0 9.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.4 t -140.24 156.81 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.337 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 15' ' ' VAL . 67.4 m -107.51 100.35 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -106.66 163.85 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.74 138.51 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -15.33 62.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.07 23.63 13.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.7 0.286 . . . . 0.0 111.406 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.36 155.34 28.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.6 0.714 . . . . 0.0 110.718 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -16.37 18.51 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.247 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -122.35 65.88 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -136.47 124.3 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 mttt -99.18 87.22 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.343 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 10.6 Cg_endo -54.24 124.79 16.88 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.53 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 129.88 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.698 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.771 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.97 -171.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.162 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.3 m95 44.75 45.39 8.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.515 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 28' ' ' ALA . 6.5 t -178.09 144.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -126.12 163.53 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 177.7 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.4 -35.43 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.01 151.22 21.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.987 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 15.64 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.03 18.17 2.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.585 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.89 168.51 15.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 146.88 48.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -93.31 99.08 11.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.0 m -99.49 161.42 13.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.114 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -60.64 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.2 137.58 36.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.5 -29.51 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -31.63 22.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.633 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -57.81 -29.67 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 11.88 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m 56.79 75.89 0.33 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.79 0.329 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.38 -163.95 11.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.41 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.3 t -140.27 160.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.289 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 15' ' ' VAL . 68.9 m -115.29 105.06 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.66 159.21 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.01 136.57 57.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 3.9 ptmt -62.69 -16.39 57.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.365 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.28 19.05 14.95 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.26 154.23 24.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.514 0.674 . . . . 0.0 110.769 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -16.94 16.13 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.378 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -116.25 69.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.34 132.31 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.277 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -115.36 82.07 9.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.29 146.08 19.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.765 2.31 . . . . 0.0 112.558 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.813 ' SD ' HG21 ' A' ' 30' ' ' THR . 1.3 ptp -104.89 167.03 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.15 158.57 17.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.025 0.441 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.5 m95 43.81 73.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.47 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.813 HG21 ' SD ' ' A' ' 27' ' ' MET . 8.8 t -176.12 147.65 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 7' ' ' GLN . 22.6 p90 -137.74 152.11 48.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.97 158.71 15.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.86 -39.92 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.196 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.85 147.29 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 13.83 14.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.89 -18.37 6.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.962 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 4.5 tt0 -99.83 159.68 14.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.48 149.8 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.2 t -93.53 101.98 14.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.335 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.29 164.34 12.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.963 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.29 -55.12 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -78.19 145.05 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -67.61 -30.12 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -15.46 27.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.11 -32.0 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.787 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -103.45 -76.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.16 73.93 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.11 -172.43 12.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.194 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.32 159.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 111.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 15' ' ' VAL . 93.8 m -99.61 99.07 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -99.86 164.48 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.23 136.65 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 111.375 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 3.9 mttp -66.33 -14.23 61.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.462 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.96 18.89 17.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.6 152.62 22.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.512 0.672 . . . . 0.0 110.688 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -11.53 14.81 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.533 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -121.69 68.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -139.64 141.34 37.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.321 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -100.02 91.4 1.63 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.419 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.9 123.43 12.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.604 2.203 . . . . 0.0 112.56 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.2 tpp -106.58 129.74 54.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 30' ' ' THR . . . -76.12 -172.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.0 m95 44.58 38.94 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.89 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.2 t -179.52 143.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -138.95 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.796 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.1 t -103.0 159.07 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.001 0.429 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.77 -32.36 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.367 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.87 149.93 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.033 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.13 17.21 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.72 15.15 3.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -132.05 139.83 48.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.92 154.96 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.5 t -98.95 103.62 15.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.04 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.64 165.05 11.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.92 -67.28 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -91.78 144.28 25.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -66.71 -24.14 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -38.66 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.449 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -56.55 -29.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.92 -11.46 16.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.06 85.0 0.13 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.18 -153.73 6.19 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 16' ' ' CYS . 12.4 t -140.1 159.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.228 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 15' ' ' VAL . 36.0 m -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.682 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.58 159.31 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.64 132.3 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 12.1 pttt -55.34 -22.9 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.396 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 23.5 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.278 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -87.32 131.5 34.24 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -13.77 58.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.849 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -119.75 68.74 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -138.52 127.97 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -113.16 80.01 4.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 81.4 Cg_exo -44.71 151.75 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.838 2.359 . . . . 0.0 112.769 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.75 177.93 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.16 130.31 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.431 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 1.5 m95 47.63 79.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.613 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -167.31 144.81 4.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.54 165.65 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.724 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.38 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.21 -33.18 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.93 151.27 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 10.89 12.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.76 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.4 13.48 2.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -118.21 164.06 15.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -121.69 147.41 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.0 t -93.37 97.95 10.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.14 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 4.5 m -99.44 161.62 13.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.12 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.917 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -89.5 138.89 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.2 t -56.17 -26.83 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -15.2 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.96 -79.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t 172.57 70.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -168.84 11.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.224 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -140.38 149.36 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 26.2 m -101.39 100.09 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 7.7 mmt85 -111.07 172.38 6.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.283 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 135.76 50.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.049 0.452 . . . . 0.0 111.147 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.71 -15.72 61.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.328 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 14.2 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.449 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 154.82 19.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.406 0.622 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -12.02 14.54 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.583 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -111.55 55.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 127.65 11.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.13 94.08 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 127.32 16.08 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.507 2.138 . . . . 0.0 112.415 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -100.99 163.08 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.779 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.0 -168.91 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.2 m95 43.92 41.66 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.66 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 28' ' ' ALA . 13.0 t -171.15 150.55 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -134.0 169.91 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -172.97 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.67 -51.43 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.93 162.34 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.079 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -90.2 21.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.509 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.07 18.95 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.985 0.422 . . . . 0.0 110.527 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 2.1 tt0 -130.21 140.41 50.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.765 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.85 163.22 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.155 0.502 . . . . 0.0 111.118 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -110.3 92.83 4.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.507 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.0 152.15 21.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.82 -55.92 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.011 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -97.8 137.65 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 4.7 t -56.94 -26.97 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -38.04 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.527 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.11 -27.8 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.038 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.28 -9.19 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.586 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t 70.85 83.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.59 -162.2 9.36 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.205 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.8 t -140.28 157.65 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 111.689 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -98.57 99.03 10.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.111 179.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -107.68 153.99 22.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.364 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.31 127.84 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -21.69 43.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.211 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 19.21 8.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -88.41 130.46 35.17 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.206 0.527 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.86 -6.02 57.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.831 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -122.58 69.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.06 158.15 43.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.55 82.2 4.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -47.01 123.22 7.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.794 2.329 . . . . 0.0 112.775 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ttp -109.12 113.35 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.548 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.99 -172.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.226 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.3 m95 44.17 44.29 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.516 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' O ' ' A' ' 28' ' ' ALA . 4.0 t -178.35 141.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 42.0 p90 -117.77 160.75 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -176.39 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.42 -41.31 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.307 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.9 148.8 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 6.35 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.355 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.35 -21.93 7.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 4.1 tt0 -100.06 153.66 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 166.33 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 111.087 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -103.74 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.143 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 1.3 m -99.43 164.99 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.001 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.22 -64.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.855 0.36 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.27 139.97 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.04 -26.35 67.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -50.42 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.364 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -59.4 -22.67 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -99.91 7.24 45.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.419 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p 52.83 76.87 0.18 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 0.0 111.231 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.3 7.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.399 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 8.7 t -140.24 163.21 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 110.664 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 27.4 m -125.32 108.49 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.83 170.06 8.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.69 152.58 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.077 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -73.92 -23.74 59.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.267 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.0 23.88 9.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.569 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.99 153.24 32.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.607 0.717 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -12.85 15.67 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.626 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -124.01 66.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.27 146.87 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 93.41 10.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -43.94 113.73 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.723 2.282 . . . . 0.0 112.935 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.82 101.0 9.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.572 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' O ' HG22 ' A' ' 30' ' ' THR . . . -69.23 -172.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.416 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.1 m95 50.21 41.34 23.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.44 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.2 t -178.39 154.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -140.1 168.62 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.213 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -107.74 174.28 5.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -78.22 -31.05 49.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -93.45 148.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -90.24 21.97 3.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.396 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.61 16.79 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.719 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -133.56 139.19 46.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.633 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -101.83 147.79 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.8 101.59 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.202 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 m -99.87 166.85 10.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.119 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -69.03 -58.05 4.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.42 144.92 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -64.03 -28.46 69.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -35.37 26.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.8 t -56.63 -29.85 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -106.07 -9.34 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.376 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t 70.5 82.51 0.15 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.82 -160.16 8.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.98 149.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.244 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -102.79 98.89 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -111.95 159.07 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.6 140.81 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.134 0.492 . . . . 0.0 110.802 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.5 pttm -63.47 -16.25 60.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.512 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 24.24 12.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.756 0.313 . . . . 0.0 111.457 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 155.29 25.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.484 0.659 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -15.79 19.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.211 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -118.5 68.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -147.84 122.12 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -112.44 85.24 6.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.338 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -44.04 145.35 2.19 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.867 2.378 . . . . 0.0 112.788 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mmm -100.04 175.15 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.09 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.0 m95 47.78 78.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.67 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -167.96 147.51 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.877 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -136.39 156.66 48.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.95 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.18 -40.51 74.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -89.92 149.74 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 18.92 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.03 11.99 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.336 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -125.05 165.12 18.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.07 147.94 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.903 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.29 99.23 10.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.162 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.1 m -99.36 162.48 13.01 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.17 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -65.19 -67.08 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -86.67 133.39 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -27.77 46.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.648 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -56.15 -38.56 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -109.48 13.56 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.464 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 55.8 84.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.239 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.13 -158.52 10.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.223 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 t -140.15 139.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.348 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.41 98.77 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -119.81 161.97 19.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.99 133.91 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 111.204 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 5.6 pttt -57.78 -21.64 42.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.357 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.3 19.49 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.203 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -87.44 131.15 34.42 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.184 0.516 . . . . 0.0 110.619 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -5.15 55.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.817 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -115.88 54.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.58 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 87.98 11.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.41 113.33 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.617 2.211 . . . . 0.0 112.407 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.9 mtm -103.62 126.26 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.81 -166.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.61 38.23 3.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.9 t -177.53 146.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -137.73 166.91 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.2 t -106.6 159.29 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -31.22 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.19 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -90.14 146.21 24.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 12.04 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.355 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.78 -13.06 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.58 143.06 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pttt -99.96 163.89 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.529 . . . . 0.0 111.339 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -108.44 92.44 4.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 163.55 12.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.09 -67.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.26 26.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.21 -28.47 69.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -31.63 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.494 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -28.67 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.035 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.29 4.24 22.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.12 79.93 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.05 -162.6 9.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.3 t -140.1 157.29 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 15' ' ' VAL . 33.0 m -112.83 105.58 13.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.79 157.35 19.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.094 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 133.64 41.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -53.57 -24.05 12.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.515 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 13.95 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -90.19 133.61 34.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.199 0.524 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -14.02 50.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.631 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.61 41.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 0.0 110.688 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 43.2 t -136.21 116.13 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -104.64 99.48 18.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 78.3 Cg_exo -50.52 127.17 19.78 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.497 2.131 . . . . 0.0 112.632 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.51 138.41 46.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.31 -173.6 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 44.81 30.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.636 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.5 t -172.01 149.17 2.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.974 0.416 . . . . 0.0 111.195 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -137.24 172.49 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.492 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.81 160.25 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.83 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -89.78 152.13 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.933 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mtm-85 -90.09 12.97 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.592 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.49 -17.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -103.78 148.39 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -104.51 145.32 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.898 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -94.71 101.31 13.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.56 163.25 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.182 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.28 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.3 p90 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.84 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -58.18 136.98 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.17 -33.26 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.45 -19.22 26.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.646 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 21.3 t -63.68 -28.07 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.381 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' SER . 26.2 p80 -106.37 -58.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.666 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.4 m 151.9 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.45 0.3 . . . . 0.0 110.789 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.43 12.03 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 16' ' ' CYS . 19.3 t -140.3 159.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' N ' HG12 ' A' ' 15' ' ' VAL . 48.2 m -105.64 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 164.81 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.133 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.95 128.54 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -21.09 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 20.35 7.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.99 132.32 35.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.183 0.516 . . . . 0.0 110.315 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -10.87 54.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.831 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -118.4 71.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -144.18 148.21 34.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.8 88.96 8.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 84.6 Cg_exo -47.25 122.51 6.57 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.758 2.306 . . . . 0.0 112.827 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.55 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.628 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.813 ' O ' HG22 ' A' ' 30' ' ' THR . . . -67.15 -171.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.403 ' O ' ' HB ' ' A' ' 30' ' ' THR . 12.3 m95 43.4 55.05 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.665 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' ALA . 3.2 t 177.99 153.26 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.27 161.64 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.92 -176.29 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -83.33 -35.07 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -101.04 158.96 15.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 17.46 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.428 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.75 11.61 3.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.86 148.89 46.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.645 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 155.1 20.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.41 . . . . 0.0 111.072 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -98.57 104.59 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.149 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.62 163.6 12.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.08 -61.46 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.88 145.89 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.74 -26.39 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -37.87 16.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.477 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -57.21 -29.4 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -102.03 -10.63 19.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.02 82.57 0.15 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -154.66 6.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.15 149.59 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -117.65 106.91 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -112.43 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.98 140.48 48.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.92 61.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.437 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 17.92 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 151.24 21.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.588 0.709 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.57 11.59 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.696 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.45 47.75 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -108.41 97.43 22.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.4 124.86 11.27 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.536 2.157 . . . . 0.0 112.613 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.8 121.71 45.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.68 -169.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.32 39.97 4.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.459 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 28' ' ' ALA . 9.3 t -176.53 148.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.08 -179.15 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -177.16 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.798 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -37.06 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.98 145.89 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -90.32 23.96 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.47 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -137.72 16.16 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.661 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.88 137.71 46.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.664 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 141.72 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.982 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -93.36 102.09 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.417 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 166.52 10.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -59.65 -71.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.747 0.308 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.32 -57.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -144.17 -159.84 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.49 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -115.56 45.82 1.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.6 mtt -64.83 174.59 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -119.38 -176.18 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -85.09 141.64 30.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.0 t -63.1 -27.05 69.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.48 -14.3 20.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.866 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 38.9 t -67.47 -34.39 77.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.38 -76.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 171.09 75.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.13 -171.23 12.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.6 t -140.31 161.47 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.737 0.303 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' N ' HG12 ' A' ' 15' ' ' VAL . 56.3 m -112.63 103.12 11.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.678 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.77 170.09 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.97 137.37 55.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -15.02 62.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.401 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.16 21.25 12.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.664 0.269 . . . . 0.0 111.449 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 155.06 24.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.536 0.684 . . . . 0.0 110.732 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -14.69 16.05 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.399 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.26 64.6 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.04 123.61 26.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -97.88 95.78 2.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.435 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.3 129.88 28.41 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.481 2.121 . . . . 0.0 112.524 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.4 mtp -110.22 147.96 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.765 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.838 ' O ' HG22 ' A' ' 30' ' ' THR . . . -87.89 -169.45 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 45.1 35.76 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.496 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -177.98 146.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -138.52 171.34 14.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 t -99.97 163.35 12.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.085 0.469 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -79.84 -26.94 40.25 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.41 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -89.86 149.64 22.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 14.97 11.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -139.31 16.14 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.21 143.12 48.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.703 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 148.17 27.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -91.08 101.04 13.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.68 165.58 11.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.005 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -51.93 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.6 tt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -149.21 72.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 40.7 p90 -145.27 119.18 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.08 50.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.84 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.0 mtt -83.61 178.93 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.999 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -121.39 -172.84 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -94.38 134.14 37.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.168 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 t -57.52 -21.81 40.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -18.49 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -63.03 -40.02 96.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.881 0.372 . . . . 0.0 110.739 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -76.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 t 168.29 88.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.02 -166.1 10.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.17 159.19 25.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.889 0.376 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 15' ' ' VAL . 75.4 m -114.75 103.88 11.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.48 162.14 15.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.88 134.04 51.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.439 . . . . 0.0 110.668 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -16.95 50.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.383 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.26 17.85 9.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.665 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.78 19.56 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.455 0.645 . . . . 0.0 110.714 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -15.82 14.89 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -112.84 71.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -146.6 143.95 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -111.68 88.77 9.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.48 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.55 130.26 17.9 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.732 2.288 . . . . 0.0 112.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 ttm -118.72 108.67 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . . . -62.89 -173.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.2 m95 50.22 34.74 9.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.62 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' MET . 13.9 t -174.04 148.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.183 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.04 161.19 38.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.04 159.46 15.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.039 0.447 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -58.8 -27.51 65.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.495 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -89.84 134.83 33.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -80.52 0.97 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.549 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -118.87 -15.31 9.39 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.84 148.51 24.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.03 155.64 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.915 0.388 . . . . 0.0 111.245 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.6 t -99.88 104.55 16.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.095 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.67 165.47 11.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.18 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -61.58 -66.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.924 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -139.27 96.49 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 60.96 100.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -101.75 74.9 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.25 164.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -150.06 -173.84 4.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.9 148.03 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -66.22 -30.01 70.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.54 28.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.589 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -65.34 -25.87 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 10.26 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.493 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.1 t 56.82 72.5 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.19 -164.42 9.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.32 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.3 t -140.32 159.41 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 89.8 m -112.53 103.92 12.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.88 166.21 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.74 133.65 48.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.685 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.28 -21.61 24.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.39 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.13 21.87 5.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.387 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -88.11 132.29 34.37 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-O 121.225 0.536 . . . . 0.0 110.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 -10.23 55.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.926 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.75 68.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.62 142.2 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -107.35 96.21 15.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.64 119.25 2.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.769 2.313 . . . . 0.0 112.787 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 115.9 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.675 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 30' ' ' THR . . . -75.08 -177.25 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.248 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.0 m95 40.85 52.0 3.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.705 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 28' ' ' ALA . 7.7 t -176.22 144.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -127.39 159.51 34.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.585 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.77 174.34 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.993 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.94 -40.85 53.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.06 152.67 21.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 19.24 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.302 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -137.91 13.84 2.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -127.48 148.09 50.31 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.731 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 148.42 26.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 103.32 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.252 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.9 m -99.61 163.6 12.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.135 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.89 -51.03 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.864 0.364 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 6.2 t80 -146.81 75.91 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 6.7 m-85 -167.06 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.81 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -147.32 81.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.41 -170.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -149.22 -176.16 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -100.48 139.13 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.08 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.1 -29.93 65.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -40.15 13.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.434 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.576 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 47.4 t -58.03 -28.31 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.95 14.18 31.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 p 53.13 71.51 0.49 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.862 0.363 . . . . 0.0 111.225 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.14 -164.67 11.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.351 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 16' ' ' CYS . 2.5 t -140.37 168.28 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.552 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' H ' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -131.32 115.41 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.139 0.495 . . . . 0.0 110.779 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.52 175.46 5.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.894 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.29 152.3 29.57 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.149 0.499 . . . . 0.0 110.692 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -84.56 6.56 23.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.477 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.46 16.47 12.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.234 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 154.58 21.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.431 0.634 . . . . 0.0 110.804 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.79 -14.13 15.32 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.563 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -111.78 71.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.044 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.07 145.23 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 90.42 10.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.689 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.66 130.6 15.28 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.668 2.245 . . . . 0.0 112.835 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.8 mmm -118.36 104.18 10.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.65 ' O ' HG22 ' A' ' 30' ' ' THR . . . -66.67 -167.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.257 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.3 m95 45.59 48.7 11.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.475 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.1 t -178.98 150.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.01 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -127.96 152.63 47.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.95 -170.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -99.97 -29.95 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -89.94 140.0 30.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.24 16.64 8.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.531 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.0 16.37 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 151.08 52.08 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.691 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.93 149.77 23.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.816 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.52 106.78 19.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.97 167.8 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.28 -70.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.68 85.33 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -150.25 104.25 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -162.63 103.17 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 mtt -105.57 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -123.44 -168.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 11' ' ' SER . . . -92.46 145.42 24.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 t -73.68 -27.17 61.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -30.52 18.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 8' ' ' ALA . 28.9 t -55.27 -31.69 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -111.15 13.0 21.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.434 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.22 82.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.77 -152.26 7.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.415 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 16' ' ' CYS . 10.4 t -139.96 162.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.618 0.247 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' N ' HG12 ' A' ' 15' ' ' VAL . 92.6 m -132.27 113.09 12.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.925 0.393 . . . . 0.0 110.812 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -118.51 172.7 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.25 136.4 53.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.79 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -14.47 60.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.567 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 15.55 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.13 155.31 19.13 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.516 0.674 . . . . 0.0 110.769 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.98 -13.24 14.76 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.535 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -114.33 71.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.921 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.48 145.48 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -97.09 90.81 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.28 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.97 116.59 3.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.75 2.3 . . . . 0.0 112.653 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ttt -107.87 116.82 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.35 -175.54 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.275 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.8 m95 44.34 46.35 7.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.702 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.2 t -179.05 142.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.202 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -140.24 169.43 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.7 -178.52 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.754 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -27.38 56.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.84 146.72 24.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 19.04 5.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.47 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.09 16.84 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.82 142.63 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -103.59 148.15 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.777 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -94.2 106.59 18.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.054 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 m -99.61 164.15 12.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.173 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -73.23 -66.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.9 p90 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.955 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -137.65 -46.98 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 4' ' ' PHE . 28.9 p90 -115.86 51.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.86 40.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 39.6 mtt -149.61 170.37 18.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -124.52 -178.35 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -90.08 138.56 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.0 t -52.07 -27.57 14.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -31.41 19.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.655 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -58.02 -30.89 66.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.003 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 9.03 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.445 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 57.14 81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.1 -164.04 10.72 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.261 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.4 t -140.27 129.66 27.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 10.7 m -97.87 101.35 12.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.445 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.93 158.94 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.188 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 5.5 p-10 -55.24 138.95 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 110.896 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -60.18 -18.88 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.426 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.36 16.65 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.614 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.25 156.89 17.98 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.508 0.67 . . . . 0.0 110.668 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.79 -10.35 20.85 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.276 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -119.63 68.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 49.6 t -150.16 102.89 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.5 mttp -94.44 95.92 1.63 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 19.1 Cg_endo -58.23 129.97 35.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.508 2.139 . . . . 0.0 112.552 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.05 167.17 10.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.624 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.592 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.05 175.66 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 5.7 m95 41.29 54.08 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.827 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -177.94 144.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -140.23 179.94 6.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.999 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.46 177.12 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -81.78 -37.49 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -91.6 145.93 24.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 21.17 3.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.497 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.43 -21.51 4.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -99.87 155.6 17.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.791 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -114.99 141.65 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.0 t -92.58 101.49 13.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.701 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -105.41 164.78 11.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.824 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -48.19 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.12 95.58 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.73 17.24 13.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.26 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 51.99 71.8 0.43 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.9 -173.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -149.88 -173.91 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -94.5 143.53 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -56.22 -23.55 36.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.449 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.65 -32.62 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.565 179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -30.5 67.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -108.56 -2.65 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.39 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 m 64.13 87.51 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.21 -148.46 5.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 16' ' ' CYS . 13.2 t -140.02 160.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.715 0.293 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' N ' HG12 ' A' ' 15' ' ' VAL . 18.2 m -124.23 107.78 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 173.06 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.05 132.07 44.57 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -16.23 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.08 14.38 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.554 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.78 155.13 19.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.514 0.673 . . . . 0.0 110.737 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -13.98 15.34 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.518 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.36 70.26 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -146.08 136.78 24.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -98.96 91.94 1.49 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.427 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 120.26 7.96 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.535 2.157 . . . . 0.0 112.492 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -100.95 124.72 47.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.647 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.99 -170.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.2 m95 45.14 33.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.563 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.2 t -177.43 146.67 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -140.08 175.89 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.0 t -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.811 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.46 -27.83 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -89.84 149.77 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.963 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -86.96 14.15 7.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -138.66 16.06 2.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.94 0.4 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -133.53 135.9 44.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.773 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 152.43 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.4 t -92.72 103.78 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.288 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.71 165.81 11.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.129 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -65.19 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 1' ' ' ILE . 3.9 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.582 0.229 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -129.04 -50.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -101.51 54.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -105.55 39.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.24 -167.97 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -130.09 175.49 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -88.14 136.02 33.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.36 -25.61 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -38.08 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.497 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.705 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.18 -28.56 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.35 -1.04 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.528 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.5 81.96 0.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.73 -149.27 5.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 16' ' ' CYS . 16.4 t -140.03 160.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' N ' HG12 ' A' ' 15' ' ' VAL . 74.5 m -125.97 108.93 11.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.492 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -118.27 163.14 17.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.06 132.86 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.776 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -55.51 -22.04 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.488 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.65 20.86 5.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.319 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -85.38 133.3 34.13 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 121.166 0.508 . . . . 0.0 110.281 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -9.5 54.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.013 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -125.33 67.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.15 147.23 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -107.39 93.0 9.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -43.84 117.68 1.29 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.784 2.323 . . . . 0.0 113.011 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 90.37 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.572 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 30' ' ' THR . . . -60.5 -164.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.335 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.439 ' O ' ' HB ' ' A' ' 30' ' ' THR . 4.1 m95 48.68 27.25 1.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.644 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.3 t 177.66 142.14 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.372 . . . . 0.0 110.967 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.18 177.14 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.019 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.89 -177.19 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -14.7 56.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.19 147.66 23.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 12.87 16.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -127.02 -17.48 4.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.76 0.314 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -100.27 145.18 28.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 155.28 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.096 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -94.74 104.49 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.5 m -99.84 165.8 11.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.175 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -70.25 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.778 0.323 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -120.65 -68.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -133.64 114.47 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.38 42.93 1.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -80.75 157.9 25.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -149.95 -174.02 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' HB1' ' CE2' ' A' ' 10' ' ' TRP . . . -86.21 147.47 26.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.07 -28.27 66.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' CE2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -78.82 -41.66 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.32 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -63.01 -24.88 68.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.21 39.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.513 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m 61.26 73.45 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.039 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.1 -164.0 9.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.4 t -140.24 156.81 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.337 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 15' ' ' VAL . 67.4 m -107.51 100.35 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -106.66 163.85 12.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.74 138.51 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -15.33 62.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.351 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.07 23.63 13.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.7 0.286 . . . . 0.0 111.406 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.36 155.34 28.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.6 0.714 . . . . 0.0 110.718 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 -16.37 18.51 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.247 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -122.35 65.88 0.94 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -136.47 124.3 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 7.8 mttt -99.18 87.22 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.343 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 10.6 Cg_endo -54.24 124.79 16.88 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.53 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.97 129.88 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.698 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.771 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.97 -171.48 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.162 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.3 m95 44.75 45.39 8.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.515 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 28' ' ' ALA . 6.5 t -178.09 144.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -126.12 163.53 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.7 177.7 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -84.4 -35.43 23.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.01 151.22 21.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.987 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 15.64 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.03 18.17 2.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 110.585 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.89 168.51 15.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.68 146.88 48.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -93.31 99.08 11.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.0 m -99.49 161.42 13.62 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.114 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -60.64 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.85 -44.96 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.12 85.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.95 81.27 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.9 mtt -134.85 -174.05 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -132.79 178.48 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -80.2 137.58 36.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.5 -29.51 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -31.63 22.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.633 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -57.81 -29.67 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.14 11.88 29.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m 56.79 75.89 0.33 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.79 0.329 . . . . 0.0 111.188 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.38 -163.95 11.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.41 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.3 t -140.27 160.96 25.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.289 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' N ' HG12 ' A' ' 15' ' ' VAL . 68.9 m -115.29 105.06 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -108.66 159.21 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.01 136.57 57.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 3.9 ptmt -62.69 -16.39 57.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.365 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.28 19.05 14.95 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.26 154.23 24.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.514 0.674 . . . . 0.0 110.769 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -16.94 16.13 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.378 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -116.25 69.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -144.34 132.31 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.277 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -115.36 82.07 9.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.29 146.08 19.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.765 2.31 . . . . 0.0 112.558 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.813 ' SD ' HG21 ' A' ' 30' ' ' THR . 1.3 ptp -104.89 167.03 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.15 158.57 17.19 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.025 0.441 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.5 m95 43.81 73.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.47 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.813 HG21 ' SD ' ' A' ' 27' ' ' MET . 8.8 t -176.12 147.65 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 7' ' ' GLN . 22.6 p90 -137.74 152.11 48.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.97 158.71 15.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.86 -39.92 75.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.196 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.85 147.29 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.15 13.83 14.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.89 -18.37 6.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.962 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 4.5 tt0 -99.83 159.68 14.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.48 149.8 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.2 t -93.53 101.98 14.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.335 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.29 164.34 12.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.963 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.29 -55.12 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.781 0.325 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -72.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -115.29 94.49 4.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -138.78 67.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 61.5 mtt -95.95 -178.4 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -133.71 179.14 6.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -78.19 145.05 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.0 t -67.61 -30.12 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -15.46 27.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.11 -32.0 73.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.787 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -103.45 -76.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 170.16 73.93 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.11 -172.43 12.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.194 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 16' ' ' CYS . 18.4 t -140.32 159.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 111.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' N ' HG12 ' A' ' 15' ' ' VAL . 93.8 m -99.61 99.07 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -99.86 164.48 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.23 136.65 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 111.375 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 3.9 mttp -66.33 -14.23 61.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.462 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.96 18.89 17.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.6 152.62 22.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.512 0.672 . . . . 0.0 110.688 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -11.53 14.81 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.533 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -121.69 68.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -139.64 141.34 37.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.321 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -100.02 91.4 1.63 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.419 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.9 123.43 12.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.604 2.203 . . . . 0.0 112.56 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.2 tpp -106.58 129.74 54.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 30' ' ' THR . . . -76.12 -172.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.0 m95 44.58 38.94 2.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.89 HG22 ' O ' ' A' ' 28' ' ' ALA . 5.2 t -179.52 143.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -138.95 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.796 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.1 t -103.0 159.07 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.001 0.429 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.77 -32.36 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.367 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.87 149.93 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.033 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.13 17.21 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.442 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.72 15.15 3.13 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.874 0.369 . . . . 0.0 110.38 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -132.05 139.83 48.68 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.572 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.92 154.96 17.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.5 t -98.95 103.62 15.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.04 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.64 165.05 11.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.92 -67.28 0.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.954 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.765 0.317 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.7 -67.82 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -132.7 68.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.66 99.09 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mtm 48.75 -173.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.245 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.9 -172.42 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -91.78 144.28 25.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 t -66.71 -24.14 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -38.66 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.449 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -56.55 -29.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.92 -11.46 16.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.06 85.0 0.13 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.18 -153.73 6.19 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 16' ' ' CYS . 12.4 t -140.1 159.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.228 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' N ' HG12 ' A' ' 15' ' ' VAL . 36.0 m -115.42 105.2 12.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.682 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.58 159.31 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -58.64 132.3 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 12.1 pttt -55.34 -22.9 21.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.396 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 23.5 5.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.278 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -87.32 131.5 34.24 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -13.77 58.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.849 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -119.75 68.74 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -138.52 127.97 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -113.16 80.01 4.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.487 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 81.4 Cg_exo -44.71 151.75 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.838 2.359 . . . . 0.0 112.769 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.75 177.93 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.16 130.31 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.431 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 1.5 m95 47.63 79.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.613 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -167.31 144.81 4.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.54 165.65 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.724 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.38 176.36 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.21 -33.18 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.93 151.27 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 10.89 12.21 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.76 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.4 13.48 2.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -118.21 164.06 15.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -121.69 147.41 45.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.0 t -93.37 97.95 10.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.14 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 4.5 m -99.44 161.62 13.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.12 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.917 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.75 0.309 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.71 -43.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -145.11 128.1 16.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.79 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.59 55.93 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.4 mtm -132.2 -175.59 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -114.85 174.27 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -89.5 138.89 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.2 t -56.17 -26.83 52.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -15.2 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.607 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -75.85 -29.78 58.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.96 -79.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.3 t 172.57 70.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -168.84 11.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.224 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 t -140.38 149.36 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 26.2 m -101.39 100.09 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 7.7 mmt85 -111.07 172.38 6.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.283 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 135.76 50.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.049 0.452 . . . . 0.0 111.147 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -64.71 -15.72 61.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.328 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 14.2 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.449 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 154.82 19.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.406 0.622 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -12.02 14.54 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.583 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -111.55 55.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 111.155 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 127.65 11.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.13 94.08 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 127.32 16.08 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.507 2.138 . . . . 0.0 112.415 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptp -100.99 163.08 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.779 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 30' ' ' THR . . . -90.0 -168.91 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.2 m95 43.92 41.66 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.66 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 28' ' ' ALA . 13.0 t -171.15 150.55 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -134.0 169.91 16.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -172.97 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.67 -51.43 6.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.93 162.34 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.079 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -90.2 21.26 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.509 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.07 18.95 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.985 0.422 . . . . 0.0 110.527 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 2.1 tt0 -130.21 140.41 50.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.765 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -99.85 163.22 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.155 0.502 . . . . 0.0 111.118 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -110.3 92.83 4.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.507 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.0 152.15 21.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.917 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.82 -55.92 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.011 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.917 0.389 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.75 -4.45 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.328 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 62.83 108.7 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.788 0.328 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.01 58.79 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 29.5 mtm -124.86 -176.83 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -112.6 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -97.8 137.65 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' TYR . 4.7 t -56.94 -26.97 60.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -38.04 22.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.527 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -59.11 -27.8 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.038 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -105.28 -9.19 17.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.586 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t 70.85 83.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.59 -162.2 9.36 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.205 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 16' ' ' CYS . 14.8 t -140.28 157.65 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 111.689 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' N ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -98.57 99.03 10.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.111 179.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -107.68 153.99 22.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.364 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.31 127.84 33.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -21.69 43.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.211 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.51 19.21 8.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -88.41 130.46 35.17 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.206 0.527 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.86 -6.02 57.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.831 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -122.58 69.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.06 158.15 43.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.55 82.2 4.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -47.01 123.22 7.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.794 2.329 . . . . 0.0 112.775 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 ttp -109.12 113.35 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.548 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 30' ' ' THR . . . -72.99 -172.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.226 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.3 m95 44.17 44.29 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.516 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' O ' ' A' ' 28' ' ' ALA . 4.0 t -178.35 141.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 42.0 p90 -117.77 160.75 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.487 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 -176.39 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.42 -41.31 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.307 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -89.9 148.8 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 6.35 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.355 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.35 -21.93 7.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 4.1 tt0 -100.06 153.66 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 166.33 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 111.087 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -103.74 106.67 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.143 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 1.3 m -99.43 164.99 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.001 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -65.22 -64.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.857 0.36 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -126.72 31.36 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -172.6 96.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -176.56 74.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.5 mtt -72.51 -171.81 0.86 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -141.97 -177.24 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.27 139.97 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.04 -26.35 67.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -50.42 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.364 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -59.4 -22.67 61.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.993 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -99.91 7.24 45.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.419 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p 52.83 76.87 0.18 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.841 0.353 . . . . 0.0 111.231 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.89 -158.3 7.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.399 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 16' ' ' CYS . 8.7 t -140.24 163.21 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.596 0.236 . . . . 0.0 110.664 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' N ' HG12 ' A' ' 15' ' ' VAL . 27.4 m -125.32 108.49 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.83 170.06 8.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.69 152.58 22.27 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.077 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -73.92 -23.74 59.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.267 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.0 23.88 9.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.569 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.99 153.24 32.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.607 0.717 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -12.85 15.67 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.626 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -124.01 66.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.897 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.27 146.87 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 93.41 10.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.518 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -43.94 113.73 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.723 2.282 . . . . 0.0 112.935 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -109.82 101.0 9.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.572 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' O ' HG22 ' A' ' 30' ' ' THR . . . -69.23 -172.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' O ' ' HB ' ' A' ' 30' ' ' THR . 3.1 m95 50.21 41.34 23.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.44 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.2 t -178.39 154.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -140.1 168.62 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.213 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -107.74 174.28 5.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -78.22 -31.05 49.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -93.45 148.01 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -90.24 21.97 3.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.396 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -139.61 16.79 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.719 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -133.56 139.19 46.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.633 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' HG2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -101.83 147.79 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -90.8 101.59 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.202 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.4 m -99.87 166.85 10.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.119 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -69.03 -58.05 4.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.616 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.887 0.375 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.81 -55.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -162.55 111.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -105.54 49.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.34 178.23 4.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -130.84 -179.71 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.42 144.92 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -64.03 -28.46 69.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -35.37 26.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.8 t -56.63 -29.85 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -106.07 -9.34 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.376 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t 70.5 82.51 0.15 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.82 -160.16 8.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.98 149.18 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 111.244 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -102.79 98.89 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -111.95 159.07 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.6 140.81 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 121.134 0.492 . . . . 0.0 110.802 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 2.5 pttm -63.47 -16.25 60.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.512 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 24.24 12.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.756 0.313 . . . . 0.0 111.457 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 155.29 25.06 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.484 0.659 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -15.79 19.58 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.211 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -118.5 68.43 0.78 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 t -147.84 122.12 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.282 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -112.44 85.24 6.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.338 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -44.04 145.35 2.19 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.867 2.378 . . . . 0.0 112.788 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mmm -100.04 175.15 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.09 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.0 m95 47.78 78.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.67 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t -167.96 147.51 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.877 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -136.39 156.66 48.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.95 175.94 5.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.18 -40.51 74.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -89.92 149.74 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 18.92 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -135.03 11.99 3.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.807 0.336 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -125.05 165.12 18.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -118.07 147.94 42.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.903 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.29 99.23 10.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.162 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.1 m -99.36 162.48 13.01 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.17 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -65.19 -67.08 0.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.5 p90 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.3 pt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -99.51 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -164.74 32.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 60.63 85.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.9 mtp -92.08 161.97 14.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -111.75 -174.5 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -86.67 133.39 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -27.77 46.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.648 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -56.15 -38.56 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -109.48 13.56 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.464 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 55.8 84.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.239 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.13 -158.52 10.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.223 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 t -140.15 139.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.348 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.41 98.77 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -119.81 161.97 19.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.99 133.91 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 111.204 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 5.6 pttt -57.78 -21.64 42.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.357 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.3 19.49 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.203 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -87.44 131.15 34.42 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 121.184 0.516 . . . . 0.0 110.619 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -5.15 55.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.817 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -115.88 54.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.58 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 87.98 11.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.659 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.41 113.33 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.617 2.211 . . . . 0.0 112.407 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.9 mtm -103.62 126.26 50.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.745 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.789 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.81 -166.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.61 38.23 3.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 28' ' ' ALA . 8.9 t -177.53 146.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -137.73 166.91 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.2 t -106.6 159.29 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -31.22 53.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.19 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -90.14 146.21 24.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 12.04 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.355 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.78 -13.06 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.58 143.06 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pttt -99.96 163.89 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.212 0.529 . . . . 0.0 111.339 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -108.44 92.44 4.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 163.55 12.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -58.09 -67.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.788 0.327 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -119.46 -52.98 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.04 99.3 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -103.92 79.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 mtt 49.78 -175.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.323 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -145.09 -173.34 4.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.26 26.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.21 -28.47 69.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -31.63 21.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.494 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -28.67 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.035 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.29 4.24 22.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.12 79.93 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.05 -162.6 9.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 16' ' ' CYS . 21.3 t -140.1 157.29 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' N ' HG12 ' A' ' 15' ' ' VAL . 33.0 m -112.83 105.58 13.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.79 157.35 19.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.094 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.57 133.64 41.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -53.57 -24.05 12.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.515 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.87 13.95 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -90.19 133.61 34.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.199 0.524 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -14.02 50.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.631 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -99.61 41.31 1.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 0.0 110.688 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 43.2 t -136.21 116.13 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -104.64 99.48 18.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 78.3 Cg_exo -50.52 127.17 19.78 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.497 2.131 . . . . 0.0 112.632 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.51 138.41 46.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HG22 ' A' ' 30' ' ' THR . . . -73.31 -173.6 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 3.3 m95 44.81 30.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.636 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 28' ' ' ALA . 12.5 t -172.01 149.17 2.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.974 0.416 . . . . 0.0 111.195 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -137.24 172.49 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.492 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.1 t -99.81 160.25 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.012 0.434 . . . . 0.0 111.058 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.83 71.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.437 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -89.78 152.13 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.933 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mtm-85 -90.09 12.97 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.592 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.49 -17.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -103.78 148.39 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -104.51 145.32 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.898 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -94.71 101.31 13.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.447 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.56 163.25 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.182 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.28 -67.56 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.3 p90 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.84 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.829 0.347 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -98.57 -35.39 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -65.42 90.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.13 74.78 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.6 mtt -90.46 -176.95 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -147.93 146.17 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 11' ' ' SER . . . -58.18 136.98 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.17 -33.26 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.45 -19.22 26.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.727 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.646 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 21.3 t -63.68 -28.07 69.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.381 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' SER . 26.2 p80 -106.37 -58.94 1.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.666 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.4 m 151.9 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.45 0.3 . . . . 0.0 110.789 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.27 -170.43 12.03 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 16' ' ' CYS . 19.3 t -140.3 159.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' N ' HG12 ' A' ' 15' ' ' VAL . 48.2 m -105.64 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.558 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.92 164.81 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.133 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.95 128.54 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -21.09 32.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.49 20.35 7.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.291 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.99 132.32 35.42 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.183 0.516 . . . . 0.0 110.315 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -10.87 54.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.831 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -118.4 71.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -144.18 148.21 34.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.8 88.96 8.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.515 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 24' ' ' CYS . 84.6 Cg_exo -47.25 122.51 6.57 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.758 2.306 . . . . 0.0 112.827 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 111.55 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.628 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.813 ' O ' HG22 ' A' ' 30' ' ' THR . . . -67.15 -171.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.319 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.403 ' O ' ' HB ' ' A' ' 30' ' ' THR . 12.3 m95 43.4 55.05 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.665 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' ALA . 3.2 t 177.99 153.26 0.3 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -131.27 161.64 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.92 -176.29 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.998 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -83.33 -35.07 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -101.04 158.96 15.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.31 17.46 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.428 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.75 11.61 3.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.86 148.89 46.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.645 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 155.1 20.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.96 0.41 . . . . 0.0 111.072 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -98.57 104.59 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.149 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.62 163.6 12.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.062 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -65.08 -61.46 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.836 0.351 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.76 -48.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.24 63.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.8 177.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.228 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -148.71 -174.63 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.88 145.89 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.9 t -60.74 -26.39 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -37.87 16.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.477 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -57.21 -29.4 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -102.03 -10.63 19.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.315 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 71.02 82.57 0.15 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.09 -154.66 6.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.15 149.59 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.966 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.4 m -117.65 106.91 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -112.43 169.51 8.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.98 140.48 48.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.131 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -16.92 61.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.437 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 17.92 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 151.24 21.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.588 0.709 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.98 -3.57 11.59 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.696 -179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.45 47.75 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -108.41 97.43 22.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.661 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.4 124.86 11.27 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.536 2.157 . . . . 0.0 112.613 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.8 121.71 45.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' HG22 ' A' ' 30' ' ' THR . . . -71.68 -169.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 2.6 m95 45.32 39.97 4.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.459 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 28' ' ' ALA . 9.3 t -176.53 148.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.08 -179.15 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -177.16 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.798 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -37.06 26.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.98 145.89 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -90.32 23.96 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.47 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -137.72 16.16 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 0.0 110.661 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.88 137.71 46.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.664 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.76 141.72 35.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.982 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -93.36 102.09 14.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.417 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 166.52 10.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -59.65 -71.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 stop_ save_